Version2.5 2022-07-29T05:38:15Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 26-Jul-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: C=C1CCCC2C3CC3N3CC123 RHF 6-31G(d) (6D,7F) C=C1CCCC2C3CC3N3CC123 C1[X(C11H15N)] 75 C1 210 C=C1CCCC2C3CC3N3CC123 C=C1CCCC2C31CN3C1C2C1 C=C1CCCC2C3CC3N4CC124 InChIKey=MUHQCFGEVWTIFS-UHFFFAOYSA-N InChI=1S/C11H15N/c1-7-3-2-4-9-8-5-10(8)12-6-11(7,9)12/h8-10H,1-6H2 InChI=1/C11H15N/c1-7-3-2-4-9-8-5-10(8)12-6-11(7,9)12/h8-10H,1-6H2 C=C1CCCC2C3CC3N3CC123 C01[X(C11H15N1)] 75 C1 210 C=C1CCCC2C3CC3N3CC123 C[C@@H]1CCC[C@@H]2[C@@]31C[N@]3[C@H]1[C@@H]2C1 C[C@@H]1CCC[C@H]2[C@H]3C[C@H]3N4C[C@]124 InChIKey=HUTCIFLUTVTMMC-ZSOJELSESA-N InChI=1S/C11H17N/c1-7-3-2-4-9-8-5-10(8)12-6-11(7,9)12/h7-10H,2-6H2,1H3/t7-,8-,9+,10-,11+,12+/m1/s1 InChI=1/C11H17N/c1-7-3-2-4-9-8-5-10(8)12-6-11(7,9)12/h7-10H,2-6H2,1H3/t7-,8-,9+,10-,11+,12+/m1/s1 4.793835657588D+02 -2.590405522985D+03 736.5657928801 -479.6344693 1-A 1775.9254 44 166 210 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2.9456 1.8682 1.7645 1.8584 1.9710 1.8004 2.0314 10.3631 6.3887 6.3970 6.5435 6.5144 6.7840 6.8265 6.8841 6.7952 6.8200 7.1736 7.0211 7.2717 7.5656 7.5605 7.6851 0.2059 0.3664 1.5200 0.5787 0.5249 2.1852 0.0569 1.5614 0.1397 0.2492 1.0390 0.3279 1.7768 0.4843 1.3795 5.6799 2.7801 16.8231 15.1752 2.2480 1.0881 5.1216 6.7407 4.8955 6.0142 8.3011 29.6006 12.6061 3.4842 0.5469 2.3380 22.8305 1.6755 2.9825 0.9674 7.1884 0.2657 0.5148 0.6401 3.4156 6.2742 1.1773 16.0882 14.7316 1.4396 4.2424 0.4094 7.5308 6.8966 4.5411 0.3578 16.8176 6.1060 6.4777 9.2531 1.5855 8.3411 4.9902 2.3163 10.1494 21.2607 38.8784 14.4143 46.9735 64.9817 48.8187 63.5483 22.0168 20.6579 19.6750 14.4505 29.3705 23.8499 23.1924 18.4707 2.8079 0.6677 2.4721 0.3794 0.8300 1.3617 3.0820 1.8705 3.5947 2.0457 1.8488 2.7511 13.7584 3.6398 4.1562 4.0633 6.6910 6.3666 5.1584 4.8806 5.7636 9.5906 1.9601 13.9982 2.5674 5.9289 3.3754 4.6606 5.9769 6.1890 3.2089 0.4233 2.1294 5.6207 6.1113 3.4718 0.2137 0.8030 3.3775 3.1906 9.7503 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