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6-methyl-Quinoline |
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ID: B187341 CAS:91-62-3 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:n1c2c(cc(cc2)C)ccc1 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 1.4316 0.0000
C 3 0.8254 0.8250 0.0000
C 4 2.1833 0.8233 1.4280 0.0000
C 5 1.4250 1.4280 0.8233 1.6500 0.0000
C 6 2.4720 1.4250 1.6466 0.8233 1.4280 0.0000
C 7 2.1777 1.6466 1.4250 1.4280 0.8233 0.8250
C 8 0.8192 1.6529 1.4251 2.4762 2.1746 2.9705
C 9 1.6542 0.8305 1.4321 1.4333 2.1856 2.1851
C 10 3.2989 2.1811 2.4735 1.4292 2.1829 0.8269
C 11 1.4321 1.4333 1.6517 2.1859 2.4750 2.8583
C 7 C 8 C 9 C 10 C 11
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C 7 0.0000
C 8 2.8500 0.0000
C 9 2.4771 1.4347 0.0000
C 10 1.4301 3.7794 2.8625 0.0000
C 11 2.9738 0.8333 0.8254 3.5992 0.0000
ATOMIC CHARGES
N 1 -0.2438381079
C 2 0.0173872112
C 3 0.0812862424
C 4 -0.0027589852
C 5 0.0187747893
C 6 -0.0217530559
C 7 -0.0027114881
C 8 0.0988264724
C 9 0.0030800066
C 10 0.0310279181
C 11 0.0206789971
BOND ANGLES
6 4 2 Car Car Car 119.863
4 2 3 Car Car Car 120.069
2 9 11 Car Car Car 119.897
9 11 8 Car Car Car 119.750
11 9 2 Car Car Car 119.897
9 2 3 Car Car Car 119.782
2 4 6 Car Car Car 119.863
4 6 7 Car Car Car 120.069
TORSION ANGLES
4 2 3 1 179.974
4 2 3 5 0.026
9 2 3 1 0.026
9 2 3 5 179.974
2 3 1 8 0.026
5 3 1 8 179.974
6 4 2 3 0.026
6 4 2 9 179.974
7 5 3 2 0.026
7 5 3 1 179.974
10 6 7 5 179.974
4 6 7 5 0.026
6 7 5 3 0.026
11 8 1 3 0.026
2 9 11 8 0.026
9 11 8 1 0.026
11 9 2 3 0.026
11 9 2 4 179.974
2 4 6 7 0.026
2 4 6 10 179.974
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