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4-Cyano-4¡ä-ethylbiphenyl
4-Cyano-4¡ä-ethylbiphenyl ID: B184385
CAS:58743-75-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N#Cc1ccc(c2ccc(cc2)CC)cc1	
FORMULA: C15H13N
MASS: 207.2704
EXACT MASS: 207.1047994
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7504     0.0000 
   C   3    3.4370     3.0000     0.0000 
   C   4    2.7043     2.2500     0.7500     0.0000 
   C   5    2.2500     1.9859     1.3014     0.7541     0.0000 
   C   6    2.6022     1.9884     1.2956     0.7483     1.3042     0.0000 
   C   7    3.9689     3.4370     0.7504     1.2993     1.9877     1.4958 
   C   8    3.7500     3.4370     0.7504     1.2993     1.5000     1.9818 
   C   9    1.2993     0.7500     2.2500     1.5000     1.3014     1.3029 
   C  10    1.9904     1.3035     1.9872     1.3035     1.5117     0.7542 
   C  11    1.5000     1.3014     1.9859     1.3014     0.7500     1.5066 
   C  12    4.5000     4.1759     1.2993     1.9845     2.2500     2.5949 
   C  13    4.6829     4.1752     1.2972     1.9831     2.5986     2.2458 
   C  14    4.9176     4.5000     1.5000     2.2500     2.7043     2.7012 
   C  15    5.6620     5.2500     2.2500     3.0000     3.4370     3.4337 
   C  16    6.1383     5.6620     2.7033     3.4362     3.9689     3.7458 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.3000     0.0000 
   C   9    2.7043     2.7043     0.0000 
   C  10    2.2500     2.6027     0.7576     0.0000 
   C  11    2.6007     2.2500     0.7541     1.3125     0.0000 
   C  12    1.5008     0.7500     3.4370     3.2729     3.0000     0.0000 
   C  13    0.7500     1.4972     3.4362     3.0000     3.2696     1.2958 
   C  14    1.3014     1.2972     3.7500     3.4394     3.4370     0.7468 
   C  15    1.9859     1.9831     4.5000     4.1779     4.1759     1.2972 
   C  16    2.2500     2.5965     4.9176     4.5000     4.6840     1.9822 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    0.7504     0.0000 
   C  15    1.2993     0.7500     0.0000 
   C  16    1.5000     1.2993     0.7504     0.0000 



ATOMIC CHARGES
   N   1   -0.1908306591
   C   2    0.1004132008
   C   3   -0.0000192958
   C   4    0.0000396584
   C   5    0.0006884485
   C   6    0.0006884485
   C   7   -0.0003225279
   C   8   -0.0003225279
   C   9    0.0684478055
   C  10    0.0102761819
   C  11    0.0102761819
   C  12   -0.0042665738
   C  13   -0.0042665738
   C  14   -0.0221873911
   C  15    0.0263638389
   C  16    0.0050217851


BOND ANGLES
   1    2    9   N1   C1  Car    119.982
   4    3    7  Car  Car  Car    119.982
   4    3    8  Car  Car  Car    119.982
   7    3    8  Car  Car  Car    120.037
   3    4    5  Car  Car  Car    119.822
   3    4    6  Car  Car  Car    119.703
   5    4    6  Car  Car  Car    120.475
   4    5   11  Car  Car  Car    119.822
   4    6   10  Car  Car  Car    120.334
   3    7   13  Car  Car  Car    119.661
   3    8   12  Car  Car  Car    119.982
   2    9   10   C1  Car  Car    119.668
   2    9   11   C1  Car  Car    119.822
  10    9   11  Car  Car  Car    120.510
   6   10    9  Car  Car  Car    119.037
   5   11    9  Car  Car  Car    119.822
   8   12   14  Car  Car  Car    120.143
   7   13   14  Car  Car  Car    120.302
  12   14   15  Car  Car   C3    120.143
  12   14   13  Car  Car  Car    119.876
  13   14   15  Car  Car   C3    119.982
  14   15   16  Car   C3   C3    119.982


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