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7-methyl-Quinoline |
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ID: B187342 CAS:612-60-2 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:c12ncccc2ccc(c1)C 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 0.8254 0.0000
C 3 0.8233 1.4250 0.0000
C 4 0.8250 1.4316 1.4280 0.0000
C 5 1.4280 2.1833 1.6500 0.8233 0.0000
C 6 1.4250 2.1777 0.8233 1.6466 1.4280 0.0000
C 7 1.6466 2.4720 1.4280 1.4250 0.8233 0.8250
C 8 1.4251 0.8192 2.1746 1.6529 2.4762 2.8500
C 9 1.4321 1.6542 2.1856 0.8305 1.4333 2.4771
C 10 2.1769 2.8500 1.4250 2.4699 2.1802 0.8233
C 11 1.6517 1.4321 2.4750 1.4333 2.1859 2.9738
C 7 C 8 C 9 C 10 C 11
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C 7 0.0000
C 8 2.9705 0.0000
C 9 2.1851 1.4347 0.0000
C 10 1.4280 3.5849 3.3004 0.0000
C 11 2.8583 0.8333 0.8254 3.7778 0.0000
ATOMIC CHARGES
C 1 0.0809926352
N 2 -0.2438480056
C 3 0.0148430169
C 4 0.0176798052
C 5 0.0011745780
C 6 -0.0203548199
C 7 -0.0041593161
C 8 0.0988263278
C 9 0.0030896958
C 10 0.0310769632
C 11 0.0206791195
BOND ANGLES
6 7 5 Car Car Car 120.069
7 5 4 Car Car Car 119.863
8 11 9 Car Car Car 119.750
11 9 4 Car Car Car 119.897
9 11 8 Car Car Car 119.750
11 8 2 Car Car Nar 120.137
5 7 6 Car Car Car 120.069
7 6 3 Car Car Car 120.069
TORSION ANGLES
8 2 1 3 179.974
8 2 1 4 0.026
6 3 1 2 179.974
6 3 1 4 0.026
5 4 1 2 179.974
5 4 1 3 0.026
9 4 1 2 0.026
9 4 1 3 179.974
7 5 4 1 0.026
7 5 4 9 179.974
10 6 3 1 179.974
7 6 3 1 0.026
6 7 5 4 0.026
11 8 2 1 0.026
11 9 4 1 0.026
11 9 4 5 179.974
8 11 9 4 0.026
9 11 8 2 0.026
5 7 6 3 0.026
5 7 6 10 179.974
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