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Products Information


ID: 1701407977
Supplier:Focus Synthesis LLC.

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SMILES:C1(CC1)NCC1CCC1.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    0.8261     0.0000 
   C   3    0.8257     0.8358     0.0000 
   N   4    0.8364     1.6022     1.6063     0.0000 
   C   5    1.3232     1.7998     2.1445     0.8316     0.0000 
  Cl   6    1.4550     0.6979     1.4981     2.1169     2.0626     0.0000 
   C   7    1.9258     2.5500     2.7381     1.1553     0.8178     2.8734 
   C   8    3.0590     3.7154     3.8495     2.2432     1.9657     4.0283 
   C   9    2.4207     3.1586     3.1632     1.5843     1.5907     3.5787 
   C  10    2.6860     3.2168     3.5100     1.9643     1.4177     3.4208 
   H  11    1.0154     0.7835     1.5106     1.4230     1.2429     0.8215 

              C   7      C   8      C   9      C  10      H  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.1668     0.0000 
   C   9    0.8250     0.8250     0.0000 
   C  10    0.8246     0.8191     1.1622     0.0000 
   H  11    2.0570     3.2078     2.7847     2.6050     0.0000 



ATOMIC CHARGES
   C   1    0.0728681904
   C   2    0.0188113032
   C   3    0.0188113032
   N   4   -0.2194637680
   C   5    0.0885974790
  Cl   6   -0.1453996612
   C   7    0.0174195892
   C   8    0.0000926876
   C   9    0.0014316078
   C  10    0.0014316078
   H  11    0.1453996612


BOND ANGLES
   2    1    3   C3   C3   C3     60.788
   2    1    4   C3   C3   N3    149.016
   3    1    4   C3   C3   N3    150.196
   1    2    3   C3   C3   C3     59.583
   1    3    2   C3   C3   C3     59.629
   1    4    5   C3   N3   C3    104.978
   4    5    7   N3   C3   C3     88.924
   5    7    9   C3   C3   C3    151.068
   5    7   10   C3   C3   C3    119.349
   9    7   10   C3   C3   C3     89.583
   9    8   10   C3   C3   C3     89.964
   7    9    8   C3   C3   C3     90.005
   7   10    8   C3   C3   C3     90.448


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