Version2.5 2022-09-29T11:31:56Z 10.1021/ja902302h Gaussian16 RevisionB.01 SBUNGAY 07-Sep-2022 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) GDB_13 Smiles: CC1=CC2CC=CCCC2(N)C1 RHF 6-31G(d) (6D,7F) CC1=CC2CC=CCCC2(N)C1 C1[X(C11H17N)] 81 C1 214 CC1=CC2CC=CCCC2(N)C1 CC1=CC2C(C1)(N)CCC=CC2 CC1=CC2CC=CCCC2(N)C1 InChIKey=HDSDERCICJSJTL-UHFFFAOYSA-N InChI=1S/C11H17N/c1-9-7-10-5-3-2-4-6-11(10,12)8-9/h2-3,7,10H,4-6,8,12H2,1H3 InChI=1/C11H17N/c1-9-7-10-5-3-2-4-6-11(10,12)8-9/h2-3,7,10H,4-6,8,12H2,1H3 CC1=CC2CC=CCCC2(N)C1 C01[X(C11H17N1)] 81 C1 214 CC1=CC2CC=CCCC2(N)C1 C[C@@H]1C[C@@H]2[C@](C1)(N)CCCCC2 C[C@@H]1C[C@H]2CCCCC[C@]2(N)C1 InChIKey=MQFNENIUNMEGMI-MXWKQRLJSA-N InChI=1S/C11H21N/c1-9-7-10-5-3-2-4-6-11(10,12)8-9/h9-10H,2-8,12H2,1H3/t9-,10-,11+/m1/s1 InChI=1/C11H21N/c1-9-7-10-5-3-2-4-6-11(10,12)8-9/h9-10H,2-8,12H2,1H3/t9-,10-,11+/m1/s1 4.805503127629D+02 -2.598008828334D+03 738.7364771224 -480.8499329 1-A 2108.7496 45 169 214 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