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5-Aminouracil
5-Aminouracil ID: API-42892
CAS:932-52-5
Supplier:APIchem

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SMILES:O=c1[nH]c(=O)[nH]cc1N	ChemMol.com
FORMULA: C4H5N3O2
MASS: 127.1014
EXACT MASS: 127.0381764
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    3.4641     0.0000 
   N   3    1.7321     1.7320     0.0000 
   N   4    3.0000     1.7320     1.7320     0.0000 
   N   5    2.0000     4.0000     2.6458     2.6458     0.0000 
   C   6    1.7321     2.9999     1.7320     1.7320     1.0001     0.0000 
   C   7    1.0001     2.6457     1.0000     2.0000     1.7321     1.0000 
   C   8    2.6458     2.6457     2.0000     1.0000     1.7321     1.0000 
   C   9    2.6458     1.0000     1.0000     1.0000     3.0000     2.0000 
   H  10    3.1408     3.1407     2.6200     1.4158     1.8397     1.4158 
   H  11    1.8397     1.8396     0.6200     2.2901     3.1408     2.2901 
   H  12    3.6201     1.8397     2.2901     0.6201     3.1409     2.2901 
   H  13    2.6200     4.3433     3.1408     2.8292     0.6200     1.4158 
   H  14    1.7732     4.3433     2.8292     3.1408     0.6200     1.4158 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.7320     1.7320     0.0000 
   H  10    2.2901     0.6200     2.2901     0.0000 
   H  11    1.4158     2.6200     1.4158     3.2400     0.0000 
   H  12    2.6200     1.4158     1.4158     1.6200     2.8059     0.0000 
   H  13    2.2901     1.8397     3.3533     1.7321     3.6739     3.2380 
   H  14    1.8397     2.2901     3.3533     2.4522     3.2380     3.6740 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    1.0739     0.0000 



ATOMIC CHARGES
   O   1   -0.2657145298
   O   2   -0.2466915756
   N   3   -0.2735810431
   N   4   -0.3125394266
   N   5   -0.3526627945
   C   6    0.1061425103
   C   7    0.2747091927
   C   8    0.0322847024
   C   9    0.3268162424
   H  10    0.0828638212
   H  11    0.1734809975
   H  12    0.1698633675
   H  13    0.1425142679
   H  14    0.1425142679


BOND ANGLES
   7    3    9  Car  Nar  Car    119.999
   7    3   11  Car  Nar   HC    120.001
   9    3   11  Car  Nar   HC    120.001
   8    4    9  Car  Nar  Car    120.001
   8    4   12  Car  Nar   HC    120.002
   9    4   12  Car  Nar   HC    119.997
   6    5   13  Car  Npl   HC    119.998
   6    5   14  Car  Npl   HC    120.000
  13    5   14   HC  Npl   HC    120.002
   5    6    7  Npl  Car  Car    119.998
   5    6    8  Npl  Car  Car    120.001
   7    6    8  Car  Car  Car    120.001
   1    7    3   O2  Car  Nar    120.001
   1    7    6   O2  Car  Car    119.998
   3    7    6  Nar  Car  Car    120.001
   4    8    6  Nar  Car  Car    119.999
   4    8   10  Nar  Car   HC    120.001
   6    8   10  Car  Car   HC    120.001
   2    9    3   O2  Car  Nar    119.999
   2    9    4   O2  Car  Nar    120.001
   3    9    4  Nar  Car  Nar    120.001


TORSION ANGLES
   9    3    7    1    179.974
   9    3    7    6      0.026
  11    3    7    1      0.026
  11    3    7    6    179.974
   7    3    9    2    179.974
   7    3    9    4      0.026
  11    3    9    2      0.026
  11    3    9    4    179.974
   9    4    8    6      0.026
   9    4    8   10    179.974
  12    4    8    6    179.974
  12    4    8   10      0.026
   8    4    9    2    179.974
   8    4    9    3      0.026
  12    4    9    2      0.026
  12    4    9    3    179.974
  13    5    6    7    179.974
  13    5    6    8      0.026
  14    5    6    7      0.026
  14    5    6    8    179.974
   5    6    7    1      0.026
   5    6    7    3    179.974
   8    6    7    1    179.974
   8    6    7    3      0.026
   5    6    8    4    179.974
   5    6    8   10      0.026
   7    6    8    4      0.026
   7    6    8   10    179.974