Sign In Join Free

Products Information


ID: 1701407934
Supplier:Focus Synthesis LLC.

Get a quote


SMILES:C1(CC1)c1ccc(C#N)cc1	
FORMULA: C10H9N
MASS: 143.1852
EXACT MASS: 143.0734993
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8248     0.0000 
   C   3    0.8269     0.8208     0.0000 
   N   4    4.1208     4.8558     4.8540     0.0000 
   C   5    3.2958     4.0332     4.0336     0.8251     0.0000 
   C   6    0.8250     1.5949     1.5959     3.2958     2.4708     0.0000 
   C   7    1.4243     2.2492     1.9729     2.9711     2.1821     0.8212 
   C   8    1.4285     1.9749     2.2554     2.9792     2.1848     0.8284 
   C   9    2.4750     3.2177     3.2182     1.6458     0.8208     1.6500 
   C  10    2.1781     2.9928     2.7912     2.1781     1.4280     1.4243 
   C  11    2.1848     2.7967     3.0014     2.1850     1.4285     1.4321 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.4333     0.0000 
   C   9    1.4316     1.4357     0.0000 
   C  10    0.8250     1.6538     0.8254     0.0000 
   C  11    1.6559     0.8292     0.8305     1.4333     0.0000 



ATOMIC CHARGES
   C   1    0.0223532126
   C   2    0.0046849637
   C   3    0.0046849637
   N   4   -0.1908306601
   C   5    0.1004129483
   C   6   -0.0224639984
   C   7   -0.0035882590
   C   8   -0.0035882590
   C   9    0.0684279871
   C  10    0.0099535504
   C  11    0.0099535504


BOND ANGLES
   2    1    3   C3   C3   C3     59.593
   2    1    6   C3   C3  Car    150.330
   3    1    6   C3   C3  Car    150.077
   1    2    3   C3   C3   C3     60.330
   1    3    2   C3   C3   C3     60.077
   4    5    9   N1   C1  Car    179.132
   1    6    7   C3  Car  Car    119.815
   1    6    8   C3  Car  Car    119.530
   7    6    8  Car  Car  Car    120.655
   6    7   10  Car  Car  Car    119.815
   6    8   11  Car  Car  Car    119.530
   5    9   11   C1  Car  Car    119.782
   5    9   10   C1  Car  Car    120.321
  10    9   11  Car  Car  Car    119.897
   7   10    9  Car  Car  Car    120.321
   8   11    9  Car  Car  Car    119.782


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