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2-methyl-Quinoline |
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ID: B187339 CAS:91-63-4 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:n1c2c(ccc1C)cccc2 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 0.8254 0.0000
C 3 0.8192 1.4251 0.0000
C 4 1.4316 0.8250 1.6529 0.0000
C 5 1.6542 1.4321 1.4347 0.8305 0.0000
C 6 1.4321 1.6517 0.8333 1.4333 0.8254 0.0000
C 7 1.4250 0.8233 2.1746 1.4280 2.1856 2.4750
C 8 2.1833 1.4280 2.4762 0.8233 1.4333 2.1859
C 9 1.4250 2.1793 0.8233 2.4762 2.1842 1.4311
C 10 2.1777 1.4250 2.8500 1.6466 2.4771 2.9738
C 11 2.4720 1.6466 2.9705 1.4250 2.1851 2.8583
C 7 C 8 C 9 C 10 C 11
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C 7 0.0000
C 8 1.6500 0.0000
C 9 2.8500 3.2995 0.0000
C 10 0.8233 1.4280 3.5878 0.0000
C 11 1.4280 0.8233 3.7754 0.8250 0.0000
ATOMIC CHARGES
N 1 -0.2496583822
C 2 0.0808809995
C 3 0.0593369777
C 4 0.0176762023
C 5 0.0027047680
C 6 0.0147476248
C 7 0.0190843408
C 8 0.0014967005
C 9 0.0520884831
C 10 0.0015444538
C 11 0.0000978316
BOND ANGLES
4 5 6 Car Car Car 119.897
5 6 3 Car Car Car 119.750
11 8 4 Car Car Car 119.863
8 4 2 Car Car Car 120.069
6 5 4 Car Car Car 119.897
5 4 2 Car Car Car 119.782
4 8 11 Car Car Car 119.863
8 11 10 Car Car Car 120.069
TORSION ANGLES
4 2 1 3 0.026
7 2 1 3 179.974
6 3 1 2 0.026
9 3 1 2 179.974
8 4 2 1 179.974
8 4 2 7 0.026
5 4 2 1 0.026
5 4 2 7 179.974
4 5 6 3 0.026
5 6 3 1 0.026
5 6 3 9 179.974
10 7 2 1 179.974
10 7 2 4 0.026
11 8 4 2 0.026
11 8 4 5 179.974
11 10 7 2 0.026
8 11 10 7 0.026
6 5 4 2 0.026
6 5 4 8 179.974
4 8 11 10 0.026
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