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Products Information

Imidacloprid
Imidacloprid ID: B184450
CAS:105827-78-9
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1cc(ccc1Cl)CN1CCN=C1N[N+](=O)[O-]	
FORMULA: C9H10ClN5O2
MASS: 255.6610
EXACT MASS: 255.0523023
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7482     0.0000 
   C   3    1.2950     0.7485     0.0000 
   C   4    1.4942     1.2949     0.7464     0.0000 
   C   5    1.2951     1.4985     1.2981     0.7513     0.0000 
   C   6    0.7459     1.2947     1.4947     1.2947     0.7471     0.0000 
  Cl   7    1.2944     1.9793     2.2447     1.9807     1.2955     0.7500 
   C   8    1.9803     1.2971     0.7500     1.2964     1.9838     2.2447 
   N   9    2.2463     1.4981     1.3003     1.9828     2.5984     2.6991 
   C  10    2.0595     1.3762     1.5657     2.3120     2.7766     2.6708 
   C  11    2.7686     2.1167     2.2962     3.0386     3.5268     3.4092 
   N  12    3.2520     2.5341     2.4988     3.1944     3.7924     3.8122 
   C  13    2.9950     2.2471     2.0093     2.6337     3.2984     3.4447 
   N  14    3.5281     2.7889     2.3802     2.8664     3.5934     3.8724 
   N  15    4.2400     3.4945     3.1230     3.6126     4.3413     4.6121 
   O  16    4.4828     3.7379     3.5012     4.0809     4.7760     4.9484 
   O  17    4.8143     4.0813     3.6191     4.0067     4.7548     5.1117 

             Cl   7      C   8      N   9      C  10      C  11      N  12
              ------------------------------------------------------------------
  Cl   7    0.0000 
   C   8    2.9947     0.0000 
   N   9    3.4312     0.7521     0.0000 
   C  10    3.3409     1.3353     0.7462     0.0000 
   C  11    4.0604     1.9404     1.2105     0.7513     0.0000 
   N  12    4.5134     1.9403     1.2117     1.2135     0.7486     0.0000 
   C  13    4.1804     1.3383     0.7515     1.2134     1.2117     0.7481 
   N  14    4.6218     1.6329     1.3393     1.9413     1.9405     1.3370 
   N  15    5.3603     2.3783     2.0083     2.4987     2.2951     1.5673 
   O  16    5.6835     2.7935     2.2526     2.5416     2.1220     1.3843 
   O  17    5.8611     2.8711     2.6397     3.2008     3.0437     2.3195 

              C  13      N  14      N  15      O  16      O  17
              -------------------------------------------------------
   C  13    0.0000 
   N  14    0.7513     0.0000 
   N  15    1.2984     0.7481     0.0000 
   O  16    1.5037     1.3006     0.7504     0.0000 
   O  17    1.9876     1.3014     0.7523     1.2965     0.0000 



ATOMIC CHARGES
   N   1   -0.2326608075
   C   2    0.0986858152
   C   3    0.0341493161
   C   4    0.0028647921
   C   5    0.0305833799
   C   6    0.1383347975
  Cl   7   -0.0613369165
   C   8    0.1961485145
   N   9   -0.1826028183
   C  10    0.2146487272
   C  11    0.2600989329
   N  12   -0.0897882475
   C  13    0.4801287529
   N  14    0.2891566139
   N  15    0.2669510568
   O  16   -0.5405312507
   O  17    0.0851693415


BOND ANGLES
   2    1    6  Car  Nar  Car    120.115
   1    2    3  Nar  Car  Car    119.823
   4    3    8  Car  Car   C3    120.067
   2    3    4  Car  Car  Car    120.034
   2    3    8  Car  Car   C3    119.900
   3    4    5  Car  Car  Car    120.158
   4    5    6  Car  Car  Car    119.543
   1    6    5  Nar  Car  Car    120.327
   5    6    7  Car  Car   Cl    119.841
   1    6    7  Nar  Car   Cl    119.832
   3    8    9  Car   C3  Npl    119.904
   8    9   13   C3  Npl   C+    125.746
  10    9   13   C3  Npl   C+    108.217
   8    9   10   C3  Npl   C3    126.037
   9   10   11  Npl   C3   C3    107.872
  10   11   12   C3   C3   N2    108.002
  11   12   13   C3   N2   C+    108.109
   9   13   12  Npl   C+   N2    107.800
  12   13   14   N2   C+  Npl    126.165
   9   13   14  Npl   C+  Npl    126.035
  13   14   15   C+  Npl  Ntr    119.982
  14   15   16  Npl  Ntr   O-    120.435
  14   15   17  Npl  Ntr   O2    120.304
  16   15   17   O-  Ntr   O2    119.261


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