Version2.5 2022-07-28T09:07:51Z 10.1021/ja902302h Gaussian16 RevisionB.01 RPOIRIER 21-Jul-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1=CCCC2C3CC2C1(C)N3 RHF 6-31G(d) (6D,7F) CC1=CCCC2C3CC2C1(C)N3 C1[X(C11H17N)] 81 C1 214 CC1=CCCC2C3CC2C1(C)N3 CC1=CCCC2C3C1(C)NC2C3 CC1=CCCC2C3CC2C1(C)N3 InChIKey=YQGNXHBWLZHHHN-UHFFFAOYSA-N InChI=1S/C11H17N/c1-7-4-3-5-8-9-6-10(8)12-11(7,9)2/h4,8-10,12H,3,5-6H2,1-2H3 InChI=1/C11H17N/c1-7-4-3-5-8-9-6-10(8)12-11(7,9)2/h4,8-10,12H,3,5-6H2,1-2H3 CC1=CCCC2C3CC2C1(C)N3 C01[X(C11H17N1)] 81 C1 214 CC1=CCCC2C3CC2C1(C)N3 C[C@H]1CCC[C@@H]2[C@@H]3[C@@]1(C)N[C@H]2C3 C[C@H]1CCC[C@H]2[C@@H]3C[C@H]2[C@@]1(C)N3 InChIKey=AFEWUCSQLHOUMV-GEVSDDDWSA-N InChI=1S/C11H19N/c1-7-4-3-5-8-9-6-10(8)12-11(7,9)2/h7-10,12H,3-6H2,1-2H3/t7-,8+,9+,10-,11-/m0/s1 InChI=1/C11H19N/c1-7-4-3-5-8-9-6-10(8)12-11(7,9)2/h7-10,12H,3-6H2,1-2H3/t7-,8+,9+,10-,11-/m0/s1 4.805821080317D+02 -2.658789198737D+03 769.2026433869 -480.8133551 1-A 1793.2981 45 169 214 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