Sign In Join Free

Products Information

2-Chloropyridine-N-oxide
2-Chloropyridine-N-oxide ID: API-45671
CAS:2402-95-1
Supplier:APIchem

Get a quote


SMILES:Clc1[n+]([O-])cccc1	ChemMol.com
FORMULA: C5H4ClNO
MASS: 129.5444
EXACT MASS: 128.9981414
INTERATOMIC DISTANCES

             Cl   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    2.0000     0.0000 
   N   3    1.7320     1.0000     0.0000 
   C   4    1.0000     1.7320     1.0000     0.0000 
   C   5    2.6458     1.7321     1.0001     1.7321     0.0000 
   C   6    1.7320     2.6457     1.7320     1.0000     2.0000     0.0000 
   C   7    3.0000     2.6458     1.7321     2.0000     1.0000     1.7321 
   C   8    2.6457     3.0000     2.0000     1.7320     1.7321     1.0000 
   H   9    3.1408     1.8397     1.4158     2.2901     0.6200     2.6200 
   H  10    1.8397     3.1407     2.2900     1.4158     2.6200     0.6200 
   H  11    3.6200     3.1408     2.2901     2.6200     1.4158     2.2901 
   H  12    3.1407     3.6200     2.6200     2.2901     2.2901     1.4158 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0001     0.0000 
   H   9    1.4158     2.2901     0.0000 
   H  10    2.2901     1.4157     3.2400     0.0000 
   H  11    0.6200     1.4158     1.6200     2.8059     0.0000 
   H  12    1.4158     0.6200     2.8059     1.6199     1.6200     0.0000 




ATOMIC CHARGES
  Cl   1   -0.0099114193
   O   2   -0.6187976800
   N   3   -0.1606986223
   C   4    0.2885183805
   C   5    0.1842692781
   C   6    0.0238604507
   C   7    0.0034599746
   C   8   -0.0489264439
   H   9    0.1389731246
   H  10    0.0693655227
   H  11    0.0677055310
   H  12    0.0621819031


BOND ANGLES
   2    3    4   O-  Nar  Car    120.001
   2    3    5   O-  Nar  Car    119.998
   4    3    5  Car  Nar  Car    120.001
   1    4    3   Cl  Car  Nar    119.999
   1    4    6   Cl  Car  Car    120.001
   3    4    6  Nar  Car  Car    120.001
   3    5    7  Nar  Car  Car    119.998
   3    5    9  Nar  Car   HC    120.000
   7    5    9  Car  Car   HC    120.002
   4    6    8  Car  Car  Car    120.001
   4    6   10  Car  Car   HC    120.002
   8    6   10  Car  Car   HC    119.998
   5    7    8  Car  Car  Car    119.998
   5    7   11  Car  Car   HC    120.002
   8    7   11  Car  Car   HC    120.000
   6    8    7  Car  Car  Car    120.001
   6    8   12  Car  Car   HC    120.001
   7    8   12  Car  Car   HC    119.998


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