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5-methyl-Quinoline |
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ID: B187340 CAS:7661-55-4 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:c12c(nccc2)cccc1C FORMULA: C10H9N
MASS: 143.1852
EXACT MASS: 143.0734993
INTERATOMIC DISTANCES
C 1 N 2 C 3 C 4 C 5 C 6
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C 1 0.0000
N 2 1.4316 0.0000
C 3 0.8250 0.8254 0.0000
C 4 0.8233 2.1833 1.4280 0.0000
C 5 1.6466 2.1777 1.4250 1.4280 0.0000
C 6 1.6529 0.8192 1.4251 2.4762 2.8500 0.0000
C 7 1.4250 2.4720 1.6466 0.8233 0.8250 2.9705
C 8 0.8305 1.6542 1.4321 1.4333 2.4771 1.4347
C 9 1.4280 1.4250 0.8233 1.6500 0.8233 2.1746
C 10 1.4280 2.8596 2.1821 0.8250 2.1821 2.9790
C 11 1.4333 1.4321 1.6517 2.1859 2.9738 0.8333
C 7 C 8 C 9 C 10 C 11
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C 7 0.0000
C 8 2.1851 0.0000
C 9 1.4280 2.1856 0.0000
C 10 1.4280 1.6538 2.4750 0.0000
C 11 2.8583 0.8254 2.4750 2.4792 0.0000
ATOMIC CHARGES
C 1 0.0137495251
N 2 -0.2438478790
C 3 0.0810024045
C 4 -0.0203920518
C 5 0.0012222007
C 6 0.0988262038
C 7 -0.0041591862
C 8 0.0027760626
C 9 0.0190770701
C 10 0.0310764650
C 11 0.0206691852
BOND ANGLES
6 2 3 Car Nar Car 120.113
2 3 1 Nar Car Car 120.321
9 5 7 Car Car Car 120.069
5 7 4 Car Car Car 120.069
7 5 9 Car Car Car 120.069
5 9 3 Car Car Car 119.863
3 2 6 Car Nar Car 120.113
2 6 11 Nar Car Car 120.137
TORSION ANGLES
6 2 3 1 0.026
6 2 3 9 179.974
2 3 1 4 179.974
2 3 1 8 0.026
9 3 1 4 0.026
9 3 1 8 179.974
7 4 1 3 0.026
7 4 1 8 179.974
10 4 1 3 179.974
10 4 1 8 0.026
9 5 7 4 0.026
2 6 11 8 0.026
5 7 4 1 0.026
5 7 4 10 179.974
11 8 1 3 0.026
11 8 1 4 179.974
5 9 3 2 179.974
5 9 3 1 0.026
6 11 8 1 0.026
7 5 9 3 0.026
3 2 6 11 0.026
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