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benzamidine hydrochloride |
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ID: B187259 CAS:1670-14-0 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:C(=N)(c1ccccc1)N.Cl FORMULA: C7H9ClN2
MASS: 156.6128
EXACT MASS: 156.0454260
INTERATOMIC DISTANCES
C 1 N 2 C 3 N 4 Cl 5 C 6
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C 1 0.0000
N 2 0.7504 0.0000
C 3 0.7542 1.3029 0.0000
N 4 0.7504 1.3000 1.3029 0.0000
Cl 5 2.3062 3.0431 2.2009 1.8816 0.0000
C 6 1.3029 1.5042 0.7504 1.9881 2.8834 0.0000
C 7 1.3029 1.9881 0.7504 1.5042 1.6106 1.3000
C 8 1.9884 2.6022 1.2993 2.2542 1.9526 1.5008
C 9 1.9884 2.2542 1.2993 2.6022 3.0875 0.7500
C 10 2.2542 2.7084 1.5000 2.7084 2.6984 1.2993
C 7 C 8 C 9 C 10
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C 7 0.0000
C 8 0.7500 0.0000
C 9 1.5008 1.3000 0.0000
C 10 1.2993 0.7504 0.7504 0.0000
ATOMIC CHARGES
C 1 0.4766083988
N 2 0.2047061673
C 3 0.0974774682
N 4 0.2047061673
Cl 5 0.0000000000
C 6 0.0079924056
C 7 0.0079924056
C 8 0.0002552996
C 9 0.0002552996
C 10 0.0000063879
BOND ANGLES
10 8 7 Car Car Car 119.982
8 7 3 Car Car Car 119.982
7 8 10 Car Car Car 119.982
8 10 9 Car Car Car 120.037
TORSION ANGLES
6 3 1 2 0.026
6 3 1 4 179.974
7 3 1 2 179.974
7 3 1 4 0.026
9 6 3 1 179.974
9 6 3 7 0.026
8 7 3 1 179.974
8 7 3 6 0.026
10 8 7 3 0.026
10 9 6 3 0.026
8 10 9 6 0.026
7 8 10 9 0.026
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