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7-Amino-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
7-Amino-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one ID: API-28703
CAS:105807-83-8
Supplier:APIchem

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SMILES:CC1(C)Oc2cc(N)ccc2NC1=O	ChemMol.com
FORMULA: C10H12N2O2
MASS: 192.2145
EXACT MASS: 192.0898776
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   C   3    1.0606     0.8250     0.0000 
   O   4    1.0605     0.8249     1.6249     0.0000 
   C   5    1.8785     1.4289     2.2460     0.8250     0.0000 
   C   6    2.4526     2.1827     3.0077     1.4290     0.8250     0.0000 
   C   7    3.2344     2.8579     3.6732     2.1828     1.4290     0.8250 
   N   8    3.8715     3.5960     4.4199     2.8579     2.1827     1.4289 
   C   9    3.5243     2.9746     3.7332     2.4751     1.6501     1.4290 
   C  10    3.1519     2.4750     3.1519     2.1828     1.4290     1.6500 
   C  11    2.3428     1.6500     2.3428     1.4290     0.8250     1.4290 
   N  12    2.2459     1.4289     1.8785     1.6500     1.4290     2.1828 
   C  13    1.6249     0.8250     1.0606     1.4289     1.6500     2.4750 
   O  14    2.0586     1.4290     1.0986     2.1827     2.4750     3.3000 

              C   7      N   8      C   9      C  10      C  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    0.8249     0.0000 
   C   9    0.8250     1.4289     0.0000 
   C  10    1.4290     2.1827     0.8250     0.0000 
   C  11    1.6501     2.4750     1.4290     0.8250     0.0000 
   N  12    2.4751     3.3000     2.1828     1.4290     0.8250     0.0000 
   C  13    2.9746     3.7806     2.8579     2.1827     1.4289     0.8249 
   O  14    3.7807     4.5934     3.5961     2.8579     2.1827     1.4289 

              C  13      O  14
              ----------------------
   C  13    0.0000 
   O  14    0.8250     0.0000 



ATOMIC CHARGES
   C   1    0.0532184080
   C   2    0.2027103018
   C   3    0.0532184080
   O   4   -0.4725214493
   C   5    0.1553928869
   C   6    0.0562945505
   C   7    0.0921972894
   N   8   -0.1279523719
   C   9    0.0195953933
   C  10    0.0210619549
   C  11    0.1073880957
   N  12   -0.1732287636
   C  13    0.2818518477
   O  14   -0.2692265513


BOND ANGLES
   1    2    3   C3   C3   C3     79.999
   1    2    4   C3   C3   O3     80.001
   1    2   13   C3   C3   C2    159.997
   3    2    4   C3   C3   O3    160.000
   3    2   13   C3   C3   C2     79.998
   4    2   13   O3   C3   C2    120.002
   2    4    5   C3   O3  Car    119.999
   4    5    6   O3  Car  Car    120.002
   4    5   11   O3  Car  Car    119.999
   6    5   11  Car  Car  Car    119.999
   5    6    7  Car  Car  Car    120.002
   6    7    8  Car  Car  Npl    119.999
   6    7    9  Car  Car  Car    119.999
   8    7    9  Npl  Car  Car    120.002
   7    9   10  Car  Car  Car    119.999
   9   10   11  Car  Car  Car    120.002
   5   11   10  Car  Car  Car    119.999
  10   11   12  Car  Car  Nam    120.002
   5   11   12  Car  Car  Nam    119.999
  11   12   13  Car  Nam   C2    119.999
   2   13   12   C3   C2  Nam    120.002
  12   13   14  Nam   C2   O2    119.999
   2   13   14   C3   C2   O2    119.999


TORSION ANGLES
   1    2    4    5    179.974
   3    2    4    5    179.974
  13    2    4    5      0.026
   2    4    5    6    179.974
   2    4    5   11      0.026
   4    5    6    7    179.974
  11    5    6    7      0.026
   5    6    7    8    179.974
   5    6    7    9      0.026
   6    7    9   10      0.026
   8    7    9   10    179.974
   7    9   10   11      0.026
   9   10   11    5      0.026
   9   10   11   12    179.974
   4    5   11   10    179.974
   4    5   11   12      0.026
   6    5   11   10      0.026
   6    5   11   12    179.974
  10   11   12   13    179.974
   5   11   12   13      0.026
  11   12   13    2      0.026
  11   12   13   14    179.974
   1    2   13   12    179.974
   1    2   13   14      0.026
   3    2   13   12    179.974
   3    2   13   14      0.026
   4    2   13   12      0.026
   4    2   13   14    179.974