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Benzaldoxime
Benzaldoxime ID: API-42895
CAS:932-90-1
Supplier:APIchem

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SMILES:O/N=C\c1ccccc1	ChemMol.com
FORMULA: C7H7NO
MASS: 121.1366
EXACT MASS: 121.0527638
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    1.0001     0.0000 
   C   3    2.0000     1.7320     0.0000 
   C   4    3.0000     2.6457     1.0000     0.0000 
   C   5    1.7321     2.0000     1.0000     1.7320     0.0000 
   C   6    3.6056     3.4641     1.7320     1.0000     2.0000     0.0000 
   C   7    2.6458     3.0000     1.7320     2.0000     1.0000     1.7320 
   C   8    3.4641     3.6055     2.0000     1.7320     1.7320     1.0000 
   C   9    1.7321     1.0000     1.0000     1.7320     1.7320     2.6457 
   H  10    3.3533     2.8291     1.4157     0.6200     2.2900     1.4158 
   H  11    1.2347     1.7733     1.4158     2.2901     0.6201     2.6200 
   H  12    4.2100     4.0130     2.2900     1.4158     2.6199     0.6200 
   H  13    2.8292     3.3533     2.2901     2.6200     1.4158     2.2901 
   H  14    4.0131     4.2100     2.6200     2.2901     2.2901     1.4158 
   H  15    2.2901     1.4157     1.4158     1.8397     2.2900     2.8292 
   H  16    0.6200     1.4158     2.6200     3.6200     2.2901     4.2100 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    2.6457     3.0000     0.0000 
   H  10    2.6199     2.2900     1.8396     0.0000 
   H  11    1.4158     2.2901     1.8397     2.8059     0.0000 
   H  12    2.2900     1.4157     3.1407     1.6200     3.2400     0.0000 
   H  13    0.6201     1.4158     3.1408     3.2400     1.6200     2.8059 
   H  14    1.4158     0.6200     3.6200     2.8059     2.8059     1.6199 
   H  15    3.1407     3.3533     0.6200     1.7320     2.4522     3.2380 
   H  16    3.1408     4.0130     2.2901     3.9665     1.7320     4.8184 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    1.6200     0.0000 
   H  15    3.6739     3.9665     0.0000 
   H  16    3.2380     4.5380     2.8059     0.0000 



ATOMIC CHARGES
   O   1   -0.4092042642
   N   2   -0.0950088317
   C   3   -0.0038172671
   C   4   -0.0530454764
   C   5   -0.0530454764
   C   6   -0.0611545566
   C   7   -0.0611545566
   C   8   -0.0617218752
   C   9    0.0734384604
   H  10    0.0623914878
   H  11    0.0623914878
   H  12    0.0617764332
   H  13    0.0617764332
   H  14    0.0617585883
   H  15    0.0868560877
   H  16    0.3277633256


BOND ANGLES
   2    1   16   N2   O2   HO    120.000
   1    2    9   O2   N2   C2    120.001
   4    3    5  Car  Car  Car    119.999
   4    3    9  Car  Car   C2    120.001
   5    3    9  Car  Car   C2    120.001
   3    4    6  Car  Car  Car    120.001
   3    4   10  Car  Car   HC    119.998
   6    4   10  Car  Car   HC    120.002
   3    5    7  Car  Car  Car    120.001
   3    5   11  Car  Car   HC    120.002
   7    5   11  Car  Car   HC    119.997
   4    6    8  Car  Car  Car    120.001
   4    6   12  Car  Car   HC    120.002
   8    6   12  Car  Car   HC    119.998
   5    7    8  Car  Car  Car    120.001
   5    7   13  Car  Car   HC    119.997
   8    7   13  Car  Car   HC    120.002
   6    8    7  Car  Car  Car    119.999
   6    8   14  Car  Car   HC    120.001
   7    8   14  Car  Car   HC    120.001
   2    9    3   N2   C2  Car    120.001
   2    9   15   N2   C2   HC    119.998
   3    9   15  Car   C2   HC    120.002


TORSION ANGLES
  16    1    2    9    179.974
   1    2    9    3      0.026
   1    2    9   15    179.974
   5    3    4    6      0.026
   5    3    4   10    179.974
   9    3    4    6    179.974
   9    3    4   10      0.026
   4    3    5    7      0.026
   4    3    5   11    179.974
   9    3    5    7    179.974
   9    3    5   11      0.026
   4    3    9    2    179.974
   4    3    9   15      0.026
   5    3    9    2      0.026
   5    3    9   15    179.974
   3    4    6    8      0.026
   3    4    6   12    179.974
  10    4    6    8    179.974
  10    4    6   12      0.026
   3    5    7    8      0.026
   3    5    7   13    179.974
  11    5    7    8    179.974
  11    5    7   13      0.026
   4    6    8    7      0.026
   4    6    8   14    179.974
  12    6    8    7    179.974
  12    6    8   14      0.026
   5    7    8    6      0.026
   5    7    8   14    179.974
  13    7    8    6    179.974
  13    7    8   14      0.026