SMILES:n1(cncc1)C(=O)C(C)C	

FORMULA: C7H10N2O
MASS: 138.1671
EXACT MASS: 138.0793130
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8308     0.0000 
   N   3    1.3413     0.8290     0.0000 
   C   4    1.3401     1.3418     0.8291     0.0000 
   C   5    0.8276     1.3426     1.3419     0.8291     0.0000 
   C   6    0.8250     1.4750     2.1412     2.1399     1.4720     0.0000 
   C   7    1.4290     2.2137     2.7552     2.5298     1.7238     0.8250 
   O   8    1.4289     1.7256     2.5309     2.7539     2.2105     0.8250 
   C   9    1.6500     2.4779     2.7950     2.3317     1.5146     1.4290 
   C  10    2.1828     2.9030     3.5240     3.3504     2.5487     1.4290 

              C   7      O   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   O   8    1.4290     0.0000 
   C   9    0.8251     2.1828     0.0000 
   C  10    0.8250     1.6501     1.4290     0.0000 



ATOMIC CHARGES
   N   1   -0.2572913682
   C   2    0.1849779899
   N   3   -0.2219498388
   C   4    0.1197100750
   C   5    0.1047873703
   C   6    0.2419743190
   C   7    0.0797524256
   O   8   -0.2715869490
   C   9    0.0098129882
   C  10    0.0098129882


BOND ANGLES
   2    1    6  Car  Nar   C2    125.945
   1    6    7  Nar   C2   C3    120.001
   1    6    8  Nar   C2   O2    119.997
   8    6    7   O2   C2   C3    120.002
   6    7    9   C2   C3   C3    119.996
   6    7   10   C2   C3   C3    120.001
   6    1    2   C2  Nar  Car    125.945
   1    2    3  Nar  Car  Nar    107.824
   7    6    8   C3   C2   O2    120.002
  10    7    9   C3   C3   C3    120.003
   9    7   10   C3   C3   C3    120.003


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


CHIRAL ATOMS
   N     1 is chiral: counterclockwise
   C     7 is chiral: counterclockwise