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1-(4-nitrophenyl)piperidine

1-(4-nitrophenyl)piperidine ID: BBC/486
CAS:6574-15-8
Supplier:Aronis

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SMILES:C1CCCN(C1)c1ccc(cc1)[N+](=O)[O-]	
FORMULA: C11H14N2O2
MASS: 206.2411
EXACT MASS: 206.1055277
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   C   3    1.4241     0.8208     0.0000 
   C   4    1.6457     1.4240     0.8208     0.0000 
   N   5    1.4240     1.6457     1.4241     0.8250     0.0000 
   C   6    0.8250     1.4314     1.6500     1.4314     0.8250     0.0000 
   C   7    2.1787     2.4707     2.1772     1.4277     0.8250     1.4277 
   C   8    2.8496     2.9644     2.4639     1.6431     1.4256     2.1794 
   C   9    3.5874     3.7700     3.2882     2.4674     2.1782     2.8528 
   C  10    3.7729     4.1159     3.7697     2.9679     2.4702     2.9685 
   C  11    3.2887     3.7690     3.5828     2.8493     2.1745     2.4638 
   C  12    2.4658     2.9648     2.8458     2.1752     1.4218     1.6408 
   N  13    4.5880     4.9440     4.5862     3.7778     3.2983     3.7764 
   O  14    5.1464     5.4034     4.9429     4.1221     3.7791     4.3618 
   O  15    4.9451     5.4045     5.1449     4.3627     3.7788     4.1202 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8240     0.0000 
   C   9    1.4251     0.8243     0.0000 
   C  10    1.6452     1.4291     0.8258     0.0000 
   C  11    1.4215     1.6501     1.4318     0.8292     0.0000 
   C  12    0.8196     1.4284     1.6505     1.4305     0.8229     0.0000 
   N  13    2.4733     2.1874     1.4350     0.8281     1.4340     2.1858 
   O  14    2.9728     2.4790     1.6547     1.4296     2.1869     2.8601 
   O  15    2.9730     2.8626     2.1889     1.4335     1.6564     2.4793 

              N  13      O  14      O  15
              ---------------------------------
   N  13    0.0000 
   O  14    0.8250     0.0000 
   O  15    0.8250     1.4289     0.0000 



ATOMIC CHARGES
   C   1    0.0214715220
   C   2    0.0035105398
   C   3    0.0214715220
   C   4    0.0907719325
   N   5   -0.3074893683
   C   6    0.0907719325
   C   7    0.0482457798
   C   8    0.0208223186
   C   9    0.0765359592
   C  10    0.2901407617
   C  11    0.0765359592
   C  12    0.0208223186
   N  13    0.0809151019
   O  14   -0.5760073379
   O  15    0.0414810586


BOND ANGLES
   2    1    6   C3   C3   C3    120.338
   1    2    3   C3   C3   C3    119.832
   2    3    4   C3   C3   C3    120.335
   3    4    5   C3   C3  Npl    119.832
   4    5    6   C3  Npl   C3    120.338
   4    5    7   C3  Npl  Car    119.831
   6    5    7   C3  Npl  Car    119.831
   1    6    5   C3   C3  Npl    119.323
   8    7   12  Car  Car  Car    120.696
   5    7    8  Npl  Car  Car    119.655
   5    7   12  Npl  Car  Car    119.649
   7    8    9  Car  Car  Car    119.674
   8    9   10  Car  Car  Car    120.006
   9   10   11  Car  Car  Car    119.797
   9   10   13  Car  Car  Ntr    120.376
  11   10   13  Car  Car  Ntr    119.827
  10   11   12  Car  Car  Car    119.958
   7   12   11  Car  Car  Car    119.870
  14   13   15   O-  Ntr   O2    119.999
  10   13   14  Car  Ntr   O-    119.729
  10   13   15  Car  Ntr   O2    120.272


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