Sign In Join Free

Products Information


ID: 1701407942
Supplier:Focus Synthesis LLC.

Get a quote


SMILES:N1(CC(C1)O)C1CCC1.Cl	
FORMULA: C7H14ClNO
MASS: 163.6452
EXACT MASS: 163.0763918
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8160     0.0000 
   C   3    0.8278     1.1626     0.0000 
   C   4    1.1624     0.8221     0.8222     0.0000 
   C   5    0.8126     1.5063     1.5137     1.9749     0.0000 
   O   6    1.9873     1.5239     1.5195     0.8250     2.7999     0.0000 
  Cl   7    0.8657     0.8061     1.6247     1.5893     1.0584     2.3295 
   C   8    1.9877     2.6305     2.6367     3.1500     1.1751     3.9750 
   C   9    1.5123     1.9748     2.2986     2.6245     0.8250     3.4341 
   C  10    1.5212     2.2975     1.9874     2.6316     0.8308     3.4405 
   H  11    1.3291     1.6106     2.1554     2.3366     0.8930     3.1177 

             Cl   7      C   8      C   9      C  10      H  11
              -------------------------------------------------------
  Cl   7    0.0000 
   C   8    1.9967     0.0000 
   C   9    1.2445     0.8308     0.0000 
   C  10    1.8837     0.8250     1.1666     0.0000 
   H  11    0.8247     1.3141     0.4865     1.5092     0.0000 



ATOMIC CHARGES
   N   1   -0.2696323400
   C   2    0.1068296102
   C   3    0.1068296102
   C   4    0.1837045855
   C   5    0.0576488029
   O   6   -0.2201522716
  Cl   7   -0.1453996612
   C   8    0.0027625817
   C   9    0.0160047106
   C  10    0.0160047106
   H  11    0.1453996612


BOND ANGLES
   2    1    3   C3   N3   C3     90.026
   2    1    5   C3   N3   C3    135.313
   3    1    5   C3   N3   C3    134.661
   1    2    4   N3   C3   C3     90.403
   1    3    4   N3   C3   C3     89.576
   3    4    6   C3   C3   O3    134.590
   2    4    3   C3   C3   C3     89.995
   2    4    6   C3   C3   O3    135.416
   1    5    9   N3   C3   C3    134.872
   1    5   10   N3   C3   C3    135.544
   9    5   10   C3   C3   C3     89.584
   9    8   10   C3   C3   C3     89.584
   5    9    8   C3   C3   C3     90.416
   5   10    8   C3   C3   C3     90.416


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


CHIRAL ATOMS
   6    4    2    1    179.974
   6    4    2    1    179.974