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(4-methoxypyridin-2-yl)methanol
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ID: Cs00236
CAS:16665-38-6 Supplier:Clousem SMILES:c1cnc(cc1OC)CO FORMULA: C7H9NO2
MASS: 139.1519
EXACT MASS: 139.0633285
INTERATOMIC DISTANCES
C 1 C 2 N 3 C 4 C 5 C 6
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C 1 0.0000
C 2 1.5230 0.0000
N 3 2.6379 1.5230 0.0000
C 4 3.0460 2.6379 1.5230 0.0000
C 5 2.6379 3.0460 2.6379 1.5230 0.0000
C 6 1.5230 2.6379 3.0460 2.6379 1.5230 0.0000
O 7 2.6334 4.0245 4.5638 4.0246 2.6334 1.5178
C 8 4.0205 5.2667 5.4825 4.5611 3.0381 2.6288
C 9 4.5637 4.0245 2.6334 1.5177 2.6333 4.0245
O 10 5.4825 5.2667 4.0206 2.6288 3.0381 4.5611
O 7 C 8 C 9 O 10
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O 7 0.0000
C 8 1.5177 0.0000
C 9 5.2667 5.4810 0.0000
O 10 5.4811 5.2667 1.5177 0.0000
ATOMIC CHARGES
C 1 0.0575353001
C 2 0.1016619991
N 3 -0.2453366059
C 4 0.0951360332
C 5 0.0542498088
C 6 0.1415470632
O 7 -0.4713345953
C 8 0.2524682921
C 9 0.2275275187
O 10 -0.2134548142
BOND ANGLES
9 4 5 C3 Car Car 119.998
4 5 6 Car Car Car 119.999
7 6 1 O3 Car Car 120.001
6 1 2 Car Car Car 120.001
1 6 7 Car Car O3 120.001
6 7 8 Car O3 C3 119.998
5 4 9 Car Car C3 119.998
4 9 10 Car C3 O3 120.005
TORSION ANGLES
6 1 2 3 0.026
1 2 3 4 0.026
2 3 4 5 0.026
2 3 4 9 179.974
3 4 5 6 0.026
9 4 5 6 179.974
4 5 6 1 0.026
4 5 6 7 179.974
5 6 1 2 0.026
7 6 1 2 179.974
5 6 7 8 0.026
1 6 7 8 179.974
3 4 9 10 179.974
5 4 9 10 0.026
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