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3-Dipropylaminopyridine N-oxide
3-Dipropylaminopyridine N-oxide ID: 6827
Supplier:SYNCHEM OHG

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SMILES:[n+]1(cc(N(CCC)CCC)ccc1)[O-]	
FORMULA: C11H18N2O
MASS: 194.2734
EXACT MASS: 194.1419132
INTERATOMIC DISTANCES

              N   1      C   2      C   3      O   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8233     0.0000 
   C   3    1.4280     0.8250     0.0000 
   O   4    0.8250     1.4301     2.1835     0.0000 
   N   5    2.1833     1.4316     0.8254     2.8617     0.0000 
   C   6    0.8233     1.4250     1.6466     1.4259     2.4720     0.0000 
   C   7    1.6500     1.4280     0.8233     2.4750     1.4250     1.4280 
   C   8    1.4280     1.6466     1.4250     2.1807     2.1777     0.8250 
   C   9    2.4777     1.6544     1.4293     2.9821     0.8251     2.9734 
   C  10    3.3026     2.4793     2.1831     3.7887     1.4289     3.7790 
   C  11    2.8573     2.1846     1.4293     3.5982     0.8250     2.9699 
   C  12    3.5962     2.8605     2.1831     4.2905     1.4289     3.7763 
   C  13    3.7844     2.9794     2.8582     4.1353     2.1828     4.3650 
   C  14    4.2862     3.5982     2.8582     5.0208     2.1827     4.3603 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8233     0.0000 
   C   9    2.1796     2.8543     0.0000 
   C  10    2.8539     3.5916     0.8250     0.0000 
   C  11    1.6447     2.4680     1.4291     1.6500     0.0000 
   C  12    2.4697     3.2930     1.6500     1.4289     0.8250     0.0000 
   C  13    3.5926     4.2832     1.4289     0.8250     2.4751     2.1827 
   C  14    2.9691     3.7728     2.4750     2.1827     1.4289     0.8250 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    2.8579     0.0000 



ATOMIC CHARGES
   N   1   -0.1508273371
   C   2    0.3162304631
   C   3    0.1201068868
   O   4   -0.6186543749
   N   5   -0.3026948015
   C   6    0.3018251007
   C   7    0.0271942523
   C   8    0.0784506628
   C   9    0.0909545795
   C  10    0.0214179000
   C  11    0.0909545795
   C  12    0.0214179000
   C  13    0.0018120945
   C  14    0.0018120945


BOND ANGLES
   2    3    7  Car  Car  Car    120.069
   3    7    8  Car  Car  Car    119.863
  11    5    9   C3  Npl   C3    120.004
   5    9   10  Npl   C3   C3    119.992
   3    5    9  Car  Npl   C3    119.995
   5    9   10  Npl   C3   C3    119.992
   7    3    2  Car  Car  Car    120.069
   3    2    1  Car  Car  Nar    120.069
   9    5   11   C3  Npl   C3    120.004
   5   11   12  Npl   C3   C3    119.994
   3    5   11  Car  Npl   C3    120.001
   5   11   12  Npl   C3   C3    119.994
   9    5    3   C3  Npl  Car    119.995
   5    3    7  Npl  Car  Car    119.611
   5    3    2  Npl  Car  Car    120.321
  11    5    3   C3  Npl  Car    120.001
   5    3    7  Npl  Car  Car    119.611
   5    3    2  Npl  Car  Car    120.321


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


CHIRAL ATOMS
   N     5 is chiral: counterclockwise