SMILES:n1(nccc1N)CC	

FORMULA: C5H9N3
MASS: 111.1451
EXACT MASS: 111.0796473
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    0.8938     0.0000 
   C   3    1.4461     0.8937     0.0000 
   C   4    1.4461     1.4462     0.8938     0.0000 
   C   5    0.8938     1.4462     1.4462     0.8937     0.0000 
   C   6    0.8938     1.5927     2.3127     2.3127     1.5927     0.0000 
   C   7    1.5481     1.8667     2.7356     2.9778     2.3923     0.8938 
   N   8    1.5927     2.3128     2.3127     1.5927     0.8937     1.9444 

              C   7      N   8
              ----------------------
   C   7    0.0000 
   N   8    2.8348     0.0000 



ATOMIC CHARGES
   N   1   -0.2348170070
   N   2   -0.1664986103
   C   3    0.1231515210
   C   4    0.0597051070
   C   5    0.1684392826
   C   6    0.1290208828
   C   7    0.0284609459
   N   8   -0.1074621220


BOND ANGLES
   5    1    2  Car  Nar  Nar    108.007
   1    2    3  Nar  Nar  Car    107.996
   6    1    2   C3  Nar  Nar    125.997
   1    2    3  Nar  Nar  Car    107.996
   2    1    5  Nar  Nar  Car    108.007
   1    5    8  Nar  Car  Npl    126.002
   6    1    5   C3  Nar  Car    125.997
   1    5    8  Nar  Car  Npl    126.002
   2    1    6  Nar  Nar   C3    125.997
   1    6    7  Nar   C3   C3    120.002
   5    1    6  Car  Nar   C3    125.997
   1    6    7  Nar   C3   C3    120.002


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


CHIRAL ATOMS
   N     1 is chiral: counterclockwise