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(R)-6-(4-Aminophenyl)-5-Methylpyridazin-3(2H)One
(R)-6-(4-Aminophenyl)-5-Methylpyridazin-3(2H)One ID: B184423
CAS:101328-85-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1=C([C@@H](CC(=O)N1)C)c1ccc(N)cc1	
FORMULA: C11H13N3O
MASS: 203.2404
EXACT MASS: 203.1058621
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7504     0.0000 
   N   3    0.7500     1.2993     0.0000 
   C   4    1.3065     1.5083     0.7546     0.0000 
   C   5    1.3000     0.7504     1.5008     1.3065     0.0000 
   C   6    1.2993     0.7500     1.9845     2.2583     1.2993     0.0000 
   C   7    1.5008     1.2993     1.3000     0.7546     0.7500     1.9845 
   O   8    1.9923     2.2583     1.3065     0.7500     1.9923     3.0083 
   C   9    1.4917     1.2921     2.2417     2.7043     1.9787     0.7463 
   C  10    1.9759     1.2900     2.5893     2.7033     1.4917     0.7426 
   C  11    2.6962     2.2417     3.4289     3.7500     2.6962     1.4917 
   N  12    3.4370     3.0000     4.1759     4.5083     3.4370     2.2500 
   C  13    2.2417     1.9766     2.9917     3.4370     2.5914     1.2921 
   C  14    2.5914     1.9766     3.2619     3.4370     2.2417     1.2921 
   C  15    1.9857     1.3000     2.2512     1.9912     0.7504     1.5008 

              C   7      O   8      C   9      C  10      C  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.3065     0.0000 
   C   9    2.5914     3.4370     0.0000 
   C  10    2.2417     3.4362     1.2958     0.0000 
   C  11    3.4289     4.5000     1.2993     1.2972     0.0000 
   N  12    4.1759     5.2583     1.9923     1.9909     0.7583     0.0000 
   C  13    3.2619     4.1759     0.7500     1.4972     0.7504     1.3065 
   C  14    2.9917     4.1759     1.5008     0.7500     0.7504     1.3065 
   C  15    1.2993     2.6057     2.2471     1.2942     2.5914     3.2696 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.3000     0.0000 
   C  15    2.6995     1.9766     0.0000 



ATOMIC CHARGES
   N   1   -0.1605269023
   C   2    0.0783221185
   N   3   -0.0796345374
   C   4    0.2631000622
   C   5    0.0510677365
   C   6    0.0151941508
   C   7    0.0946440433
   O   8   -0.2714691201
   C   9    0.0026054832
   C  10    0.0026054832
   C  11    0.0890934164
   N  12   -0.1280572674
   C  13    0.0180947902
   C  14    0.0180947902
   C  15    0.0068657526


BOND ANGLES
   2    1    3   C2   N2  Nam    119.982
   1    2    5   N2   C2   C3    120.037
   1    2    6   N2   C2  Car    119.982
   5    2    6   C3   C2  Car    119.982
   1    3    4   N2  Nam   C2    120.528
   3    4    7  Nam   C2   C3    118.945
   3    4    8  Nam   C2   O2    120.528
   7    4    8   C3   C2   O2    120.528
   2    5   15   C2   C3   C3    120.037
   2    5    7   C2   C3   C3    119.982
   7    5   15   C3   C3   C3    119.982
   2    6    9   C2  Car  Car    119.430
   2    6   10   C2  Car  Car    119.589
   9    6   10  Car  Car  Car    120.981
   4    7    5   C2   C3   C3    120.528
   6    9   13  Car  Car  Car    119.430
   6   10   14  Car  Car  Car    119.910
  12   11   14  Npl  Car  Car    119.982
  13   11   14  Car  Car  Car    120.037
  12   11   13  Npl  Car  Car    119.982
   9   13   11  Car  Car  Car    119.982
  10   14   11  Car  Car  Car    119.661


TORSION ANGLES
   5    2    1    3      0.026
   6    2    1    3    179.974
   4    3    1    2      0.026
   7    4    3    1      0.026
   8    4    3    1    179.974
  15    5    2    1    179.974
  15    5    2    6      0.026
   7    5    2    1      0.026
   7    5    2    6    179.974
   9    6    2    1      0.026
   9    6    2    5    179.974
  10    6    2    1    179.974
  10    6    2    5      0.026
   5    7    4    3      0.026
   5    7    4    8    179.974
  13    9    6    2    179.974
  13    9    6   10      0.026
  14   10    6    2    179.974
  14   10    6    9      0.026
  12   11   14   10    179.974
  13   11   14   10      0.026
  11   13    9    6      0.026
  11   14   10    6      0.026
   2    5    7    4      0.026
  15    5    7    4    179.974
   9   13   11   14      0.026
   9   13   11   12    179.974


CHIRAL ATOMS
   9   13   11   12    179.974