Sign In Join Free

Products Information

5-Azacytosine
5-Azacytosine ID: API-42881
CAS:931-86-2
Supplier:APIchem

Get a quote


SMILES:O=c1[nH]c(ncn1)N	ChemMol.com
FORMULA: C3H4N4O
MASS: 112.0901
EXACT MASS: 112.0385108
INTERATOMIC DISTANCES

              O   1      N   2      N   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    1.7320     0.0000 
   N   3    2.9999     1.7320     0.0000 
   N   4    3.4641     1.7321     1.7321     0.0000 
   N   5    1.7320     1.7320     1.7320     3.0000     0.0000 
   C   6    2.6457     1.0000     1.0000     1.0001     2.0000     0.0000 
   C   7    1.0000     1.0000     2.0000     2.6458     1.0000     1.7320 
   C   8    2.6457     2.0000     1.0000     2.6458     1.0000     1.7320 
   H   9    1.8396     0.6200     2.2901     1.8397     2.2901     1.4158 
   H  10    3.1407     2.6200     1.4158     3.1408     1.4158     2.2901 
   H  11    4.0130     2.2901     1.8397     0.6200     3.3533     1.4158 
   H  12    3.5191     1.8397     2.2901     0.6200     3.3533     1.4158 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   H   9    1.4158     2.6200     0.0000 
   H  10    2.2901     0.6200     3.2400     0.0000 
   H  11    3.1408     2.8292     2.4522     3.2380     0.0000 
   H  12    2.8292     3.1408     1.7321     3.6739     1.0739     0.0000 




ATOMIC CHARGES
   O   1   -0.2445817580
   N   2   -0.2788962727
   N   3   -0.2045588007
   N   4   -0.3288399363
   N   5   -0.1815212241
   C   6    0.1955498315
   C   7    0.3496597677
   C   8    0.1248956368
   H   9    0.1731301509
   H  10    0.1049603624
   H  11    0.1451011212
   H  12    0.1451011212


BOND ANGLES
   6    2    7  Car  Nar  Car    119.999
   6    2    9  Car  Nar   HC    120.001
   7    2    9  Car  Nar   HC    120.001
   6    3    8  Car  Nar  Car    120.001
   6    4   11  Car  Npl   HC    120.000
   6    4   12  Car  Npl   HC    119.998
  11    4   12   HC  Npl   HC    120.002
   7    5    8  Car  Nar  Car    120.001
   2    6    3  Nar  Car  Nar    120.001
   2    6    4  Nar  Car  Npl    120.001
   3    6    4  Nar  Car  Npl    119.998
   1    7    2   O2  Car  Nar    119.999
   1    7    5   O2  Car  Nar    120.001
   2    7    5  Nar  Car  Nar    120.001
   3    8    5  Nar  Car  Nar    119.999
   3    8   10  Nar  Car   HC    120.001
   5    8   10  Nar  Car   HC    120.001


TORSION ANGLES
   7    2    6    3      0.026
   7    2    6    4    179.974
   9    2    6    3    179.974
   9    2    6    4      0.026
   6    2    7    1    179.974
   6    2    7    5      0.026
   9    2    7    1      0.026
   9    2    7    5    179.974
   8    3    6    2      0.026
   8    3    6    4    179.974
   6    3    8    5      0.026
   6    3    8   10    179.974
  11    4    6    2    179.974
  11    4    6    3      0.026
  12    4    6    2      0.026
  12    4    6    3    179.974
   8    5    7    1    179.974
   8    5    7    2      0.026
   7    5    8    3      0.026
   7    5    8   10    179.974