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7-amino-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one
7-amino-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one
ID: Cs00368
Supplier:Clousem

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SMILES:c1(cnc2c(c1)NC(=O)CN2)N	
FORMULA: C7H8N4O
MASS: 164.1646
EXACT MASS: 164.0698109
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   N   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   N   7    1.5230     2.6379     4.0295     4.5690     4.0295     2.6379 
   N   8    4.5689     4.0294     2.6379     1.5230     2.6379     4.0295 
   C   9    5.4912     5.2758     4.0295     2.6379     3.0460     4.5690 
   C  10    5.2758     5.4912     4.5690     3.0460     2.6379     4.0295 
   N  11    4.0294     4.5689     4.0295     2.6379     1.5230     2.6379 
   O  12    6.6385     6.9792     6.0920     4.5689     4.0294     5.2758 

              N   7      N   8      C   9      C  10      N  11      O  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    6.0920     0.0000 
   C   9    6.9793     1.5230     0.0000 
   C  10    6.6386     2.6379     1.5230     0.0000 
   N  11    5.2758     3.0460     2.6379     1.5230     0.0000 
   O  12    7.9137     4.0295     2.6379     1.5230     2.6379     0.0000 




ATOMIC CHARGES
   C   1    0.1095907562
   C   2    0.1184226390
   N   3   -0.2249492725
   C   4    0.1634662727
   C   5    0.1076783695
   C   6    0.0391161892
   N   7   -0.1263821093
   N   8   -0.2092443270
   C   9    0.2004229170
   C  10    0.2677129426
   N  11   -0.1747851589
   O  12   -0.2710492184


BOND ANGLES
   2    1    6  Car  Car  Car    120.001
   2    1    7  Car  Car  Npl    119.999
   6    1    7  Car  Car  Npl    120.000
   1    2    3  Car  Car  Nar    120.001
   2    3    4  Car  Nar  Car    120.000
   3    4    5  Nar  Car  Car    119.999
   3    4    8  Nar  Car  Npl    120.000
   5    4    8  Car  Car  Npl    120.001
   4    5    6  Car  Car  Car    119.999
   4    5   11  Car  Car  Nam    120.001
   6    5   11  Car  Car  Nam    120.000
   1    6    5  Car  Car  Car    120.000
   4    8    9  Car  Npl   C3    120.000
   8    9   10  Npl   C3   C2    119.999
   9   10   11   C3   C2  Nam    119.999
   9   10   12   C3   C2   O2    120.001
  11   10   12  Nam   C2   O2    120.000
   5   11   10  Car  Nam   C2    120.000


TORSION ANGLES
   6    1    2    3      0.026
   7    1    2    3    179.974
   1    2    3    4      0.026
   2    3    4    5      0.026
   2    3    4    8    179.974
   3    4    5    6      0.026
   3    4    5   11    179.974
   8    4    5    6    179.974
   8    4    5   11      0.026
   4    5    6    1      0.026
  11    5    6    1    179.974
   5    6    1    2      0.026
   5    6    1    7    179.974
   3    4    8    9    179.974
   5    4    8    9      0.026
   4    8    9   10      0.026
   8    9   10   11      0.026
   8    9   10   12    179.974
   9   10   11    5      0.026
  12   10   11    5    179.974
  10   11    5    4      0.026
  10   11    5    6    179.974