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3,5-Dimethylpiperidine, cis + trans |
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ID: CHH15522 CAS:35794-11-7 Supplier:ChemiK Co.,Ltd. SMILES:N1CC(CC(C1)C)C FORMULA: C7H15N
MASS: 113.2007
EXACT MASS: 113.1204495
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.9242 0.0000
C 3 1.6008 0.9242 0.0000
C 4 1.8484 1.6008 0.9242 0.0000
C 5 1.6008 1.8484 1.6008 0.9242 0.0000
C 6 0.9242 1.6008 1.8484 1.6008 0.9242 0.0000
C 7 2.4452 2.7727 2.4453 1.6008 0.9242 1.6008
C 8 2.4452 1.6007 0.9241 1.6007 2.4452 2.7726
C 7 C 8
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C 7 0.0000
C 8 3.2015 0.0000
ATOMIC CHARGES
N 1 -0.2180520666
C 2 0.0886504349
C 3 0.0174666324
C 4 0.0028620154
C 5 0.0174666324
C 6 0.0886504349
C 7 0.0014779583
C 8 0.0014779583
BOND ANGLES
6 1 2 C3 N3 C3 120.001
1 2 3 N3 C3 C3 119.999
8 3 4 C3 C3 C3 119.998
3 4 5 C3 C3 C3 120.001
7 5 6 C3 C3 C3 119.999
2 1 6 C3 N3 C3 120.001
6 5 7 C3 C3 C3 119.999
4 3 8 C3 C3 C3 119.998
TORSION ANGLES
6 1 2 3 0.026
1 2 3 4 0.026
1 2 3 8 179.974
2 3 4 5 0.026
8 3 4 5 179.974
3 4 5 6 0.026
3 4 5 7 179.974
4 5 6 1 0.026
7 5 6 1 179.974
2 1 6 5 0.026
CHIRAL ATOMS
C 3 is chiral: counterclockwise
C 5 is chiral: counterclockwise
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