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4-amino-4H-1,2,4-triazole |
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ID: B187194 CAS:584-13-4 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:n1(cnnc1)N FORMULA: C2H4N4
MASS: 84.0800
EXACT MASS: 84.0435961
INTERATOMIC DISTANCES
N 1 N 2 N 3 C 4 C 5 N 6
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N 1 0.0000
N 2 1.2125 0.0000
N 3 1.2135 0.7504 0.0000
C 4 0.7535 1.2147 0.7495 0.0000
C 5 0.7455 0.7543 1.2163 1.2156 0.0000
N 6 0.7504 1.9402 1.9409 1.3392 1.3314 0.0000
ATOMIC CHARGES
N 1 -0.1955487752
N 2 -0.1239408858
N 3 -0.1239408858
C 4 0.2203509608
C 5 0.2203509608
N 6 0.0027286252
BOND ANGLES
2 3 4 Nar Nar Car 108.172
3 4 1 Nar Car Nar 107.694
4 3 2 Car Nar Nar 108.172
3 2 5 Nar Nar Car 107.867
TORSION ANGLES
3 2 5 1 0.026
2 3 4 1 0.026
3 4 1 5 0.026
3 4 1 6 179.974
2 5 1 4 0.026
2 5 1 6 179.974
4 3 2 5 0.026
CHIRAL ATOMS
N 1 is chiral: counterclockwise
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