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2-Methoxyisonicotinamide
2-Methoxyisonicotinamide ID: API-28871
CAS:105612-50-8
Supplier:APIchem

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SMILES:c1cnc(cc1C(=O)N)OC	ChemMol.com
FORMULA: C7H8N2O2
MASS: 152.1506
EXACT MASS: 152.0585775
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5416     0.0000 
   N   3    0.9370     0.5396     0.0000 
   C   4    1.0827     0.9375     0.5432     0.0000 
   C   5    0.9375     1.0827     0.9390     0.5416     0.0000 
   C   6    0.5375     0.9334     1.0792     0.9354     0.5411     0.0000 
   C   7    0.9334     1.4284     1.6209     1.4297     0.9355     0.5417 
   O   8    1.0792     1.6208     1.9484     1.8724     1.4295     0.9370 
   N   9    1.4295     1.8724     1.9494     1.6208     1.0792     0.9390 
   O  10    1.6223     1.4301     0.9375     0.5396     0.9370     1.4295 
   C  11    1.9479     1.6203     1.0807     0.9334     1.4284     1.8689 

              C   7      O   8      N   9      O  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   O   8    0.5396     0.0000 
   N   9    0.5431     0.9375     0.0000 
   O  10    1.8725     2.3559     1.9484     0.0000 
   C  11    2.3532     2.8058     2.4736     0.5375     0.0000 



ATOMIC CHARGES
   C   1    0.0255093617
   C   2    0.1022083147
   N   3   -0.2101378678
   C   4    0.2251261786
   C   5    0.0623299794
   C   6    0.0628391828
   C   7    0.2843704472
   O   8   -0.2666639376
   N   9   -0.0836928336
   O  10   -0.4561209780
   C  11    0.2542321526


BOND ANGLES
   2    1    6  Car  Car  Car    119.746
   1    2    3  Car  Car  Nar    120.133
   2    3    4  Car  Nar  Car    119.950
   3    4    5  Nar  Car  Car    119.916
   3    4   10  Nar  Car   O3    119.950
   5    4   10  Car  Car   O3    120.133
   4    5    6  Car  Car  Car    119.531
   1    6    5  Car  Car  Car    120.723
   5    6    7  Car  Car   C2    119.531
   1    6    7  Car  Car   C2    119.746
   8    7    9   O2   C2  Nam    119.969
   6    7    8  Car   C2   O2    120.124
   6    7    9  Car   C2  Nam    119.907
   4   10   11  Car   O3   C3    120.133


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