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Phenylhydrazine |
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ID: B187206 CAS:100-63-0 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:N(N)c1ccccc1 FORMULA: C6H8N2
MASS: 108.1411
EXACT MASS: 108.0687483
INTERATOMIC DISTANCES
N 1 N 2 C 3 C 4 C 5 C 6
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N 1 0.0000
N 2 1.0006 0.0000
C 3 0.9969 1.7292 0.0000
C 4 1.7333 2.6476 1.0041 0.0000
C 5 1.7303 1.9975 1.0000 1.7344 0.0000
C 6 2.6466 3.0017 1.7344 2.0000 1.0041 0.0000
C 7 2.6435 3.4625 1.7333 0.9969 2.0011 1.7303
C 8 2.9980 3.6040 2.0011 1.7303 1.7333 0.9969
C 7 C 8
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C 7 0.0000
C 8 1.0000 0.0000
ATOMIC CHARGES
N 1 -0.1295658640
N 2 0.0043370709
C 3 0.0867845037
C 4 0.0178044400
C 5 0.0178044400
C 6 0.0013747070
C 7 0.0013747070
C 8 0.0000859953
BOND ANGLES
8 7 4 Car Car Car 120.101
7 4 3 Car Car Car 120.035
4 7 8 Car Car Car 120.101
7 8 6 Car Car Car 120.101
TORSION ANGLES
4 3 1 2 179.974
5 3 1 2 0.026
7 4 3 1 179.974
7 4 3 5 0.026
6 5 3 1 179.974
6 5 3 4 0.026
8 6 5 3 0.026
8 7 4 3 0.026
7 8 6 5 0.026
4 7 8 6 0.026
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