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methyl 3-aminopyrazine-2-carboxylate
methyl 3-aminopyrazine-2-carboxylate ID: AN-1034
CAS:16298-03-6
Supplier:AN PharmaTech Co Ltd

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SMILES:O(C(=O)c1nccnc1N)C	72669
FORMULA: C6H7N3O2
MASS: 153.1387
EXACT MASS: 153.0538265
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7320     0.0000 
   N   3    2.0000     2.6457     0.0000 
   N   4    3.4641     3.0000     2.0000     0.0000 
   N   5    3.0000     1.7321     2.6458     1.7321     0.0000 
   C   6    1.7320     1.7320     1.0000     1.7320     1.7321     0.0000 
   C   7    2.6457     2.0000     1.7320     1.0000     1.0001     1.0000 
   C   8    1.0000     1.0000     1.7320     2.6457     2.0000     1.0000 
   C   9    3.0000     3.4641     1.0000     1.7320     3.0000     1.7320 
   C  10    3.6055     3.6055     1.7320     1.0000     2.6458     2.0000 
   C  11    1.0000     2.0000     3.0000     4.3589     3.6056     2.6457 
   H  12    3.3533     4.0130     1.4158     2.2901     3.6201     2.2901 
   H  13    4.2100     4.2100     2.2901     1.4158     3.1408     2.6200 
   H  14    3.6200     2.2901     3.1408     1.8397     0.6200     2.2901 
   H  15    2.7431     1.2347     2.8292     2.2901     0.6200     1.8397 
   H  16    1.1766     2.5558     3.0634     4.6402     4.0751     2.9083 
   H  17    1.6200     2.3715     3.6200     4.9340     4.0601     3.2380 
   H  18    1.1766     1.4955     3.0634     4.1517     3.1879     2.5121 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    2.0000     2.6457     0.0000 
   C  10    1.7320     3.0000     1.0000     0.0000 
   C  11    3.4641     1.7320     4.0000     4.5826     0.0000 
   H  12    2.6200     3.1408     0.6201     1.4158     4.3433     0.0000 
   H  13    2.2901     3.6200     1.4158     0.6200     5.1927     1.6200 
   H  14    1.4158     2.6200     3.3533     2.8292     4.2100     3.9666 
   H  15    1.4158     1.7733     3.3533     3.1408     3.2069     3.9666 
   H  16    3.8121     2.1114     4.0478     4.7390     0.6200     4.3108 
   H  17    4.0130     2.2901     4.6200     5.1927     0.6200     4.9592 
   H  18    3.1995     1.5200     4.0478     4.5067     0.6200     4.4626 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    3.2380     0.0000 
   H  15    3.6739     1.0739     0.0000 
   H  16    5.3313     4.6900     3.7270     0.0000 
   H  17    5.8050     4.6468     3.6056     0.8768     0.0000 
   H  18    5.1259     3.7711     2.7290     1.2400     0.8768     0.0000 




ATOMIC CHARGES
   O   1   -0.4633198053
   O   2   -0.2431147701
   N   3   -0.2438337564
   N   4   -0.2368063889
   N   5   -0.3412675847
   C   6    0.1871300572
   C   7    0.1488569422
   C   8    0.3608600576
   C   9    0.0467275541
   C  10    0.0478205996
   C  11    0.0820451088
   H  12    0.0845108944
   H  13    0.0845552138
   H  14    0.1437698832
   H  15    0.1437698832
   H  16    0.0660987037
   H  17    0.0660987037
   H  18    0.0660987037


BOND ANGLES
   8    1   11   C2   O3   C3    120.001
   6    3    9  Car  Nar  Car    120.001
   7    4   10  Car  Nar  Car    120.001
   7    5   14  Car  Npl   HC    120.000
   7    5   15  Car  Npl   HC    119.998
  14    5   15   HC  Npl   HC    120.002
   3    6    7  Nar  Car  Car    119.999
   3    6    8  Nar  Car   C2    120.001
   7    6    8  Car  Car   C2    120.001
   4    7    5  Nar  Car  Npl    119.998
   4    7    6  Nar  Car  Car    120.001
   5    7    6  Npl  Car  Car    120.001
   1    8    2   O3   C2   O2    119.999
   1    8    6   O3   C2  Car    120.001
   2    8    6   O2   C2  Car    120.001
   3    9   10  Nar  Car  Car    120.001
   3    9   12  Nar  Car   HC    119.997
  10    9   12  Car  Car   HC    120.002
   4   10    9  Nar  Car  Car    119.999
   4   10   13  Nar  Car   HC    120.001
   9   10   13  Car  Car   HC    120.001
   1   11   16   O3   C3   HC     90.000
   1   11   17   O3   C3   HC    179.974
   1   11   18   O3   C3   HC     90.000
  16   11   17   HC   C3   HC     90.000
  16   11   18   HC   C3   HC    179.974
  17   11   18   HC   C3   HC     90.000


TORSION ANGLES
  11    1    8    2      0.026
  11    1    8    6    179.974
   8    1   11   16    179.974
   8    1   11   17    180.000
   8    1   11   18      0.026
   9    3    6    7      0.026
   9    3    6    8    179.974
   6    3    9   10      0.026
   6    3    9   12    179.974
  10    4    7    5    179.974
  10    4    7    6      0.026
   7    4   10    9      0.026
   7    4   10   13    179.974
  14    5    7    4      0.026
  14    5    7    6    179.974
  15    5    7    4    179.974
  15    5    7    6      0.026
   3    6    7    4      0.026
   3    6    7    5    179.974
   8    6    7    4    179.974
   8    6    7    5      0.026
   3    6    8    1      0.026
   3    6    8    2    179.974
   7    6    8    1    179.974
   7    6    8    2      0.026
   3    9   10    4      0.026
   3    9   10   13    179.974
  12    9   10    4    179.974
  12    9   10   13      0.026