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Products Information


ID: 1701407952
Supplier:Focus Synthesis LLC.

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SMILES:O1CCC(CN)CC1	
FORMULA: C6H13NO
MASS: 115.1735
EXACT MASS: 115.0997140
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    2.9751     0.0000 
   C   3    1.6500     1.4238     0.0000 
   C   4    0.8125     2.8518     1.4280     0.0000 
   C   5    0.8208     2.4875     1.4347     1.4168     0.0000 
   C   6    2.4750     0.8269     0.8251     2.1781     2.1953     0.0000 
   C   7    1.4193     1.6625     0.8225     1.6332     0.8250     1.4409 
   C   8    1.4145     2.1811     0.8275     0.8167     1.6415     1.4290 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.4167     0.0000 



ATOMIC CHARGES
   O   1   -0.3537757228
   N   2   -0.1313857620
   C   3    0.0240527390
   C   4    0.1422054364
   C   5    0.1422054364
   C   6    0.1094237939
   C   7    0.0336370396
   C   8    0.0336370396


BOND ANGLES
   4    1    5   C3   O3   C3    120.323
   6    3    7   C3   C3   C3    121.980
   7    3    8   C3   C3   C3    118.322
   6    3    8   C3   C3   C3    119.698
   1    4    8   O3   C3   C3    120.510
   1    5    7   O3   C3   C3    119.166
   2    6    3   N3   C3   C3    119.055
   3    7    5   C3   C3   C3    121.112
   3    8    4   C3   C3   C3    120.566


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