SMILES:c1(cnc(cc1)C(=O)O)F	ChemMol.com

FORMULA: C6H4FNO2
MASS: 141.0999
EXACT MASS: 141.0226066
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4000     0.0000 
   N   3    2.4249     1.4000     0.0000 
   C   4    2.8000     2.4249     1.4001     0.0000 
   C   5    2.4249     2.8000     2.4249     1.4000     0.0000 
   C   6    1.4000     2.4249     2.8000     2.4249     1.4001     0.0000 
   F   7    1.4000     2.4249     3.7040     4.2000     3.7040     2.4248 
   C   8    4.2000     3.7040     2.4249     1.4000     2.4249     3.7041 
   O   9    5.0477     4.8497     3.7040     2.4248     2.7999     4.2000 
   O  10    5.0478     4.2000     2.8000     2.4249     3.7040     4.8498 

              F   7      C   8      O   9      O  10
              --------------------------------------------
   F   7    0.0000 
   C   8    5.6000     0.0000 
   O   9    6.4155     1.4000     0.0000 
   O  10    6.4156     1.4000     2.4249     0.0000 



ATOMIC CHARGES
   C   1    0.1592221169
   C   2    0.1285940542
   N   3   -0.2348059865
   C   4    0.1609282734
   C   5    0.0281970940
   C   6    0.0330099507
   F   7   -0.2025278991
   C   8    0.4050821989
   O   9   -0.2388499013
   O  10   -0.2388499013


BOND ANGLES
   7    1    2    F  Car  Car    120.001
   1    2    3  Car  Car  Nar    120.001
   2    1    7  Car  Car    F    120.001
   5    4    8  Car  Car  Cac    120.001
   4    8    9  Car  Cac O.co2    119.999
   4    8   10  Car  Cac O.co2    120.001
   8    4    5  Cac  Car  Car    120.001
   4    5    6  Car  Car  Car    119.999
  10    8    9 O.co2  Cac O.co2    120.001
   9    8   10 O.co2  Cac O.co2    120.001


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