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Products Information

Benzophenone imine
Benzophenone imine ID: B187174
CAS:1013-88-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C(=N)(c1ccccc1)c1ccccc1	
FORMULA: C13H11N
MASS: 181.2331
EXACT MASS: 181.0891494
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.0006     0.0000 
   C   3    1.0000     1.7324     0.0000 
   C   4    0.9969     1.7292     1.7303     0.0000 
   C   5    1.7324     2.0000     1.0006     2.6439     0.0000 
   C   6    1.7303     2.6439     0.9969     2.0000     1.7292     0.0000 
   C   7    1.7333     2.6476     2.0011     1.0041     3.0017     1.7344 
   C   8    1.7231     1.9934     2.6368     0.9917     3.4555     2.9917 
   C   9    2.6446     3.4627     1.7303     3.0000     1.9975     1.0000 
   C  10    2.6420     3.4625     2.9939     1.7333     3.9945     2.6403 
   C  11    2.6403     2.9975     3.4575     1.7273     4.3534     3.5986 
   C  12    2.6460     3.0000     1.7324     3.4627     1.0000     1.9975 
   C  13    3.0000     3.6057     2.0000     3.6047     1.7324     1.7303 
   C  14    2.9939     3.6017     3.5982     1.9969     4.5759     3.4575 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7273     0.0000 
   C   9    2.6473     3.9917     0.0000 
   C  10    0.9928     2.0011     3.4575     0.0000 
   C  11    1.9917     1.0041     4.5753     1.7303     0.0000 
   C  12    3.6069     4.3501     1.7292     4.5759     5.1899     0.0000 
   C  13    3.4647     4.5738     0.9969     4.3509     5.2841     1.0006 
   C  14    1.7231     1.7333     4.3518     1.0000     0.9969     5.2842 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    5.1878     0.0000 



ATOMIC CHARGES
   C   1    0.1027849651
   N   2   -0.1480023624
   C   3    0.0194021641
   C   4    0.0194021641
   C   5    0.0015533125
   C   6    0.0015533125
   C   7    0.0015533125
   C   8    0.0015533125
   C   9    0.0000493388
   C  10    0.0000493388
   C  11    0.0000493388
   C  12    0.0000493388
   C  13    0.0000012319
   C  14    0.0000012319


BOND ANGLES
   2    1    3   N2   C2  Car    119.981
   2    1    4   N2   C2  Car    119.918
   3    1    4  Car   C2  Car    120.101
   1    3    5   C2  Car  Car    119.981
   1    3    6   C2  Car  Car    120.101
   5    3    6  Car  Car  Car    119.918
   1    4    7   C2  Car  Car    120.035
   1    4    8   C2  Car  Car    120.101
   7    4    8  Car  Car  Car    119.864
   3    5   12  Car  Car  Car    119.981
   3    6    9  Car  Car  Car    120.101
   4    7   10  Car  Car  Car    120.449
   4    8   11  Car  Car  Car    119.864
   6    9   13  Car  Car  Car    120.101
   7   10   14  Car  Car  Car    119.687
   8   11   14  Car  Car  Car    120.035
   5   12   13  Car  Car  Car    119.981
   9   13   12  Car  Car  Car    119.918
  10   14   11  Car  Car  Car    120.101


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