Sign In Join Free

Products Information

phthalazin-1-ylhydrazine
phthalazin-1-ylhydrazine ID: AN-42348
CAS:86-54-4
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:N(N)c1nncc2c1cccc2	3637
FORMULA: C8H8N4
MASS: 160.1759
EXACT MASS: 160.0748963
INTERATOMIC DISTANCES

              N   1      N   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.7321     0.0000 
   N   3    2.6458     1.0000     0.0000 
   N   4    1.0001     2.0000     3.0000     0.0000 
   C   5    1.7320     1.7321     2.0000     2.6458     0.0000 
   C   6    2.6457     2.0000     1.7321     3.4641     1.0000     0.0000 
   C   7    1.0000     1.0001     1.7321     1.7321     1.0000     1.7320 
   C   8    2.0072     2.6799     3.0416     3.0072     1.0416     1.7761 
   C   9    3.5080     3.0415     2.6799     4.4033     1.7760     1.0416 
   C  10    3.0489     3.5322     3.6767     4.0488     1.8001     2.0693 
   C  11    3.0000     1.7321     1.0001     3.6056     1.7320     1.0000 
   C  12    3.6691     3.6767     3.5322     4.6477     2.0693     1.8001 
   H  13    1.7865     2.8622     3.3914     2.7519     1.4559     2.3301 
   H  14    4.0532     3.3913     2.8621     4.9111     2.3300     1.4559 
   H  15    3.6200     2.2901     1.4158     4.2101     2.2901     1.4158 
   H  16    3.4078     4.0814     4.2806     4.3962     2.3593     2.6893 
   H  17    4.2751     4.2806     4.0814     5.2588     2.6893     2.3593 
   H  18    0.6200     2.2901     3.1408     1.4158     1.8397     2.8292 
   H  19    1.4158     2.6200     3.6200     0.6200     3.1408     4.0131 
   H  20    1.4158     1.7732     2.7431     0.6200     2.8292     3.5192 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7602     0.0000 
   C   9    2.6901     2.0693     0.0000 
   C  10    2.7087     1.0417     1.8001     0.0000 
   C  11    2.0000     2.6902     1.7602     3.0693     0.0000 
   C  12    3.0693     1.8002     1.0416     1.0416     2.7087     0.0000 
   H  13    1.8711     0.6200     2.6893     1.4559     3.1812     2.3594 
   H  14    3.1811     2.6893     0.6200     2.3593     1.8710     1.4558 
   H  15    2.6200     3.1851     1.8547     3.4191     0.6200     2.8837 
   H  16    3.2061     1.4559     2.3593     0.6200     3.6892     1.4558 
   H  17    3.6892     2.3594     1.4558     1.4558     3.2061     0.6200 
   H  18    1.4158     1.7670     3.5612     2.7811     3.3533     3.5421 
   H  19    2.2901     3.3533     4.9149     4.3854     4.2101     5.0726 
   H  20    1.8397     3.3673     4.5169     4.3981     3.4849     4.8893 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    3.3093     0.0000 
   H  15    3.7143     1.7531     0.0000 
   H  16    1.6657     2.8787     4.0333     0.0000 
   H  17    2.8788     1.6657     3.2970     1.6658     0.0000 
   H  18    1.3812     4.1469     3.9665     3.0468     4.1206     0.0000 
   H  19    3.0010     5.4457     4.8185     4.6667     5.6721     1.6200 
   H  20    3.2009     4.9739     4.0601     4.8005     5.5083     1.9436 

              H  19      H  20
              ----------------------
   H  19    0.0000 
   H  20    1.0739     0.0000 



ATOMIC CHARGES
   N   1   -0.2656278424
   N   2   -0.1325208408
   N   3   -0.1552572981
   N   4   -0.2553133365
   C   5    0.0263103181
   C   6    0.0053050710
   C   7    0.1623181078
   C   8   -0.0506038245
   C   9   -0.0524173095
   C  10   -0.0610583305
   C  11    0.0577825704
   C  12   -0.0611169895
   H  13    0.0624702411
   H  14    0.0624103052
   H  15    0.0854082262
   H  16    0.0617776160
   H  17    0.0617768774
   H  18    0.1675043385
   H  19    0.1404260501
   H  20    0.1404260501


BOND ANGLES
   4    1    7   N3  Npl  Car    119.998
   4    1   18   N3  Npl   HC    120.000
   7    1   18  Car  Npl   HC    120.002
   3    2    7  Nar  Nar  Car    119.998
   2    3   11  Nar  Nar  Car    119.998
   1    4   19  Npl   N3   HC    119.998
   1    4   20  Npl   N3   HC    120.000
  19    4   20   HC   N3   HC    120.002
   6    5    7  Car  Car  Car    120.001
   6    5    8  Car  Car  Car    120.886
   7    5    8  Car  Car  Car    119.113
   5    6    9  Car  Car  Car    120.882
   5    6   11  Car  Car  Car    120.001
   9    6   11  Car  Car  Car    119.118
   1    7    2  Npl  Car  Nar    119.998
   1    7    5  Npl  Car  Car    120.001
   2    7    5  Nar  Car  Car    120.001
   5    8   10  Car  Car  Car    119.554
   5    8   13  Car  Car   HC    120.230
  10    8   13  Car  Car   HC    120.216
   6    9   12  Car  Car  Car    119.563
   6    9   14  Car  Car   HC    120.226
  12    9   14  Car  Car   HC    120.211
   8   10   12  Car  Car  Car    119.560
   8   10   16  Car  Car   HC    120.215
  12   10   16  Car  Car   HC    120.225
   3   11    6  Nar  Car  Car    120.001
   3   11   15  Nar  Car   HC    119.998
   6   11   15  Car  Car   HC    120.001
   9   12   10  Car  Car  Car    119.555
   9   12   17  Car  Car   HC    120.220
  10   12   17  Car  Car   HC    120.225


TORSION ANGLES
   7    1    4   19    179.974
   7    1    4   20      0.026
  18    1    4   19      0.026
  18    1    4   20    179.974
   4    1    7    2      0.026
   4    1    7    5    179.974
  18    1    7    2    179.974
  18    1    7    5      0.026
   7    2    3   11      0.026
   3    2    7    1    179.974
   3    2    7    5      0.026
   2    3   11    6      0.026
   2    3   11   15    179.974
   7    5    6    9    179.974
   7    5    6   11      0.026
   8    5    6    9      0.026
   8    5    6   11    179.974
   6    5    7    1    179.974
   6    5    7    2      0.026
   8    5    7    1      0.026
   8    5    7    2    179.974
   6    5    8   10      0.026
   6    5    8   13    179.974
   7    5    8   10    179.974
   7    5    8   13      0.026
   5    6    9   12      0.026
   5    6    9   14    179.974
  11    6    9   12    179.974
  11    6    9   14      0.026
   5    6   11    3      0.026
   5    6   11   15    179.974
   9    6   11    3    179.974
   9    6   11   15      0.026
   5    8   10   12      0.026
   5    8   10   16    179.974
  13    8   10   12    179.974
  13    8   10   16      0.026
   6    9   12   10      0.026
   6    9   12   17    179.974
  14    9   12   10    179.974
  14    9   12   17      0.026
   8   10   12    9      0.026
   8   10   12   17    179.974
  16   10   12    9    179.974
  16   10   12   17      0.026