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N-methylformanilide |
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ID: B187213 CAS:93-61-8 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:N(C=O)(c1ccccc1)C FORMULA: C8H9NO
MASS: 135.1632
EXACT MASS: 135.0684139
INTERATOMIC DISTANCES
N 1 C 2 O 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.9969 0.0000
O 3 1.7333 1.0041 0.0000
C 4 1.0000 1.7303 2.0011 0.0000
C 5 0.9969 1.7250 2.6435 1.7303 0.0000
C 6 1.7303 2.0000 1.7344 0.9969 2.6411 0.0000
C 7 1.7303 2.6411 2.9980 0.9969 2.0000 1.7250
C 8 2.6446 3.4606 3.6039 1.7303 3.0000 1.9939
C 9 2.6446 3.0000 2.6473 1.7303 3.4606 1.0000
C 10 3.0000 3.6047 3.4647 2.0000 3.6047 1.7303
C 7 C 8 C 9 C 10
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C 7 0.0000
C 8 1.0000 0.0000
C 9 1.9939 1.7250 0.0000
C 10 1.7303 0.9969 0.9969 0.0000
ATOMIC CHARGES
N 1 -0.2496640633
C 2 0.3069841882
O 3 -0.2645670734
C 4 0.0543025660
C 5 0.1204792041
C 6 0.0149115236
C 7 0.0149115236
C 8 0.0012792767
C 9 0.0012792767
C 10 0.0000835779
BOND ANGLES
10 9 6 Car Car Car 120.101
9 6 4 Car Car Car 120.101
6 9 10 Car Car Car 120.101
9 10 8 Car Car Car 119.797
TORSION ANGLES
3 2 1 4 0.026
3 2 1 5 179.974
6 4 1 2 0.026
6 4 1 5 179.974
7 4 1 2 179.974
7 4 1 5 0.026
9 6 4 1 179.974
9 6 4 7 0.026
8 7 4 1 179.974
8 7 4 6 0.026
10 8 7 4 0.026
10 9 6 4 0.026
9 10 8 7 0.026
6 9 10 8 0.026
CHIRAL ATOMS
N 1 is chiral: counterclockwise
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