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5-amino-1-methylpyrazole
5-amino-1-methylpyrazole ID: CHH11005
CAS:1192-21-8
Supplier:ChemiK Co.,Ltd.

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SMILES:n1(nccc1N)C	
FORMULA: C4H7N3
MASS: 97.1185
EXACT MASS: 97.0639972
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    0.8938     0.0000 
   C   3    1.4461     0.8937     0.0000 
   C   4    1.4461     1.4462     0.8938     0.0000 
   C   5    0.8938     1.4462     1.4462     0.8937     0.0000 
   C   6    0.8938     1.5927     2.3127     2.3127     1.5927     0.0000 
   N   7    1.5927     2.3128     2.3127     1.5927     0.8937     1.9444 

              N   7
              -----------
   N   7    0.0000 



ATOMIC CHARGES
   N   1   -0.2327231801
   N   2   -0.1664380207
   C   3    0.1231524079
   C   4    0.0597059071
   C   5    0.1684992300
   C   6    0.1552649785
   N   7   -0.1074613228


BOND ANGLES
   2    1    5  Nar  Nar  Car    108.007
   2    1    6  Nar  Nar   C3    125.997
   5    1    6  Car  Nar   C3    125.997
   1    2    3  Nar  Nar  Car    107.996
   2    3    4  Nar  Car  Car    108.001
   3    4    5  Car  Car  Car    108.001
   1    5    4  Nar  Car  Car    107.996
   4    5    7  Car  Car  Npl    126.002
   1    5    7  Nar  Car  Npl    126.002


TORSION ANGLES
   5    1    2    3      0.026
   6    1    2    3    179.974
   1    2    3    4      0.026
   2    3    4    5      0.026
   3    4    5    1      0.026
   3    4    5    7    179.974
   2    1    5    4      0.026
   2    1    5    7    179.974
   6    1    5    4    179.974
   6    1    5    7      0.026