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8-Methylquinoline |
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ID: CHH16514 CAS:611-32-5 Supplier:ChemiK Co.,Ltd. SMILES:n1cccc2cccc(c12)C FORMULA: C10H9N
MASS: 143.1852
EXACT MASS: 143.0734993
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.7175 0.0000
C 3 1.2427 0.7175 0.0000
C 4 1.4350 1.2428 0.7175 0.0000
C 5 1.2427 1.4350 1.2428 0.7175 0.0000
C 6 1.8983 2.1525 1.8983 1.2427 0.7175 0.0000
C 7 2.1525 2.5870 2.4855 1.8983 1.2427 0.7175
C 8 1.8983 2.4855 2.5870 2.1525 1.4350 1.2428
C 9 1.2427 1.8983 2.1525 1.8983 1.2427 1.4350
C 10 0.7175 1.2428 1.4350 1.2428 0.7175 1.2428
C 11 1.4350 2.1525 2.5869 2.4855 1.8983 2.1525
C 7 C 8 C 9 C 10 C 11
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C 7 0.0000
C 8 0.7175 0.0000
C 9 1.2427 0.7175 0.0000
C 10 1.4350 1.2427 0.7174 0.0000
C 11 1.8983 1.2427 0.7175 1.2427 0.0000
ATOMIC CHARGES
N 1 -0.2441561757
C 2 0.0988148089
C 3 0.0206788434
C 4 0.0030798535
C 5 0.0173883160
C 6 0.0014768745
C 7 -0.0002255938
C 8 -0.0027707527
C 9 -0.0042085206
C 10 0.0773174676
C 11 0.0326048787
BOND ANGLES
10 1 2 Car Nar Car 120.009
1 2 3 Nar Car Car 119.995
10 5 6 Car Car Car 120.006
5 6 7 Car Car Car 119.991
11 9 10 C3 Car Car 119.999
2 1 10 Car Nar Car 120.009
6 5 10 Car Car Car 120.006
10 9 11 Car Car C3 119.999
TORSION ANGLES
10 1 2 3 0.026
1 2 3 4 0.026
2 3 4 5 0.026
3 4 5 6 179.974
3 4 5 10 0.026
4 5 6 7 179.974
10 5 6 7 0.026
5 6 7 8 0.026
6 7 8 9 0.026
7 8 9 10 0.026
7 8 9 11 179.974
8 9 10 1 179.974
8 9 10 5 0.026
11 9 10 1 0.026
11 9 10 5 179.974
2 1 10 9 179.974
2 1 10 5 0.026
4 5 10 9 179.974
4 5 10 1 0.026
6 5 10 9 0.026
6 5 10 1 179.974
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