Sign In Join Free

Products Information


ID: 1701407962
Supplier:Focus Synthesis LLC.

Get a quote


SMILES:N1(CC(C1)O)C1CCC1	
FORMULA: C7H13NO
MASS: 127.1842
EXACT MASS: 127.0997140
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8192     0.0000 
   C   3    0.8192     1.1585     0.0000 
   C   4    1.1585     0.8191     0.8192     0.0000 
   C   5    0.8168     1.5120     1.5109     1.9753     0.0000 
   O   6    1.9753     1.5108     1.5120     0.8168     2.7920     0.0000 
   C   7    1.9876     2.6308     2.6321     3.1461     1.1709     3.9629 
   C   8    1.5212     2.2999     1.9837     2.6287     0.8279     3.4301 
   C   9    1.5216     1.9834     2.3005     2.6288     0.8309     3.4296 

              C   7      C   8      C   9
              ---------------------------------
   C   7    0.0000 
   C   8    0.8279     0.0000 
   C   9    0.8250     1.1709     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
   C   7    0.0027625817
   C   8    0.0160047106
   C   9    0.0160047106


BOND ANGLES
   2    1    3   C3   N3   C3     89.995
   2    1    5   C3   N3   C3    135.112
   3    1    5   C3   N3   C3    134.893
   1    2    4   N3   C3   C3     90.005
   1    3    4   N3   C3   C3     89.995
   3    4    6   C3   C3   O3    135.102
   2    4    3   C3   C3   C3     90.005
   2    4    6   C3   C3   O3    134.893
   1    5    8   N3   C3   C3    135.325
   1    5    9   N3   C3   C3    134.875
   8    5    9   C3   C3   C3     89.800
   8    7    9   C3   C3   C3     90.202
   5    8    7   C3   C3   C3     90.005
   5    9    7   C3   C3   C3     89.993


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
   8    5    1    2    179.974
   8    5    1    3      0.026
   9    5    1    2      0.026
   9    5    1    3    179.974
   8    7    9    5      0.026
   7    8    5    1    179.974
   7    8    5    9      0.026
   7    9    5    1    179.974
   7    9    5    8      0.026
   9    7    8    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