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Products Information


ID: 1701407976
Supplier:Focus Synthesis LLC.

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SMILES:C1(CC1)CNC1CCC1.Cl	
FORMULA: C8H16ClN
MASS: 161.6723
EXACT MASS: 161.0971272
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      C   5     Cl   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8272     0.0000 
   C   3    0.8250     0.8311     0.0000 
   N   4    1.3130     1.7941     2.1335     0.0000 
   C   5    0.8232     1.5916     1.5930     0.8277     0.0000 
  Cl   6    1.4536     0.6989     1.4967     2.0526     2.1036     0.0000 
   C   7    1.9225     2.5518     2.7339     0.8252     1.1625     2.8711 
   C   8    3.0489     3.7109     3.8379     1.9683     2.2450     4.0209 
   C   9    2.6778     3.2137     3.5010     1.4202     1.9662     3.4129 
   C  10    2.4179     3.1600     3.1587     1.5985     1.5948     3.5773 
   H  11    1.0145     0.7886     1.5092     1.2338     1.4122     0.8207 

              C   7      C   8      C   9      C  10      H  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.1609     0.0000 
   C   9    0.8210     0.8239     0.0000 
   C  10    0.8270     0.8183     1.1657     0.0000 
   H  11    2.0557     3.2014     2.5977     2.7845     0.0000 



ATOMIC CHARGES
   C   1    0.0174207573
   C   2    0.0014773651
   C   3    0.0014773651
   N   4   -0.2194649766
   C   5    0.0885974783
  Cl   6   -0.1453996612
   C   7    0.0727774033
   C   8    0.0028591780
   C   9    0.0174277148
   C  10    0.0174277148
   H  11    0.1453996612


BOND ANGLES
   2    1    3   C3   C3   C3     60.404
   2    1    5   C3   C3   C3    149.345
   3    1    5   C3   C3   C3    150.251
   1    2    3   C3   C3   C3     59.670
   1    3    2   C3   C3   C3     59.926
   5    4    7   C3   N3   C3     89.385
   1    5    4   C3   C3   N3    105.374
   4    7    9   N3   C3   C3    119.245
   4    7   10   N3   C3   C3    150.720
   9    7   10   C3   C3   C3     90.035
   9    8   10   C3   C3   C3     90.439
   7    9    8   C3   C3   C3     89.778
   7   10    8   C3   C3   C3     89.748


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