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3,5-dinitropyridin-2-amine
3,5-dinitropyridin-2-amine
ID: Cs00367
CAS:3073-30-1
Supplier:Clousem

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SMILES:c1(cnc(c(c1)[N+](=O)[O-])N)[N+](=O)[O-]	
FORMULA: C5H4N4O4
MASS: 184.1097
EXACT MASS: 184.0232546
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   N   3    2.6379     1.5230     0.0000 
   C   4    3.0461     2.6380     1.5230     0.0000 
   C   5    2.6380     3.0461     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   N   7    4.5690     4.0295     2.6379     1.5230     2.6379     4.0295 
   N   8    4.0295     4.5690     4.0295     2.6379     1.5230     2.6379 
   O   9    4.5690     5.4913     5.2758     4.0295     2.6379     3.0460 
   O  10    5.2759     5.4913     4.5690     3.0460     2.6379     4.0295 
   N  11    1.5230     2.6379     4.0295     4.5690     4.0295     2.6379 
   O  12    2.6379     4.0295     5.2758     5.4913     4.5690     3.0460 
   O  13    2.6379     3.0460     4.5690     5.4913     5.2759     4.0295 

              N   7      N   8      O   9      O  10      N  11      O  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    3.0460     0.0000 
   O   9    4.5690     1.5230     0.0000 
   O  10    2.6379     1.5230     2.6379     0.0000 
   N  11    6.0920     5.2758     5.4912     6.6386     0.0000 
   O  12    6.9792     5.4912     5.2758     6.9793     1.5230     0.0000 
   O  13    6.9793     6.6386     6.9793     7.9138     1.5230     2.6379 

              O  13
              -----------
   O  13    0.0000 



ATOMIC CHARGES
   C   1    0.3152738304
   C   2    0.1758411608
   N   3   -0.2143450536
   C   4    0.2399947248
   C   5    0.3304365719
   C   6    0.1551602609
   N   7   -0.1005611681
   N   8    0.0841945531
   O   9    0.0415812450
   O  10   -0.5759275314
   N  11    0.0827797815
   O  12    0.0415355549
   O  13   -0.5759639303


BOND ANGLES
   2    1    6  Car  Car  Car    119.999
   2    1   11  Car  Car  Ntr    120.001
   6    1   11  Car  Car  Ntr    120.000
   1    2    3  Car  Car  Nar    119.999
   2    3    4  Car  Nar  Car    120.002
   3    4    5  Nar  Car  Car    119.999
   3    4    7  Nar  Car  Npl    120.000
   5    4    7  Car  Car  Npl    120.001
   4    5    6  Car  Car  Car    119.999
   4    5    8  Car  Car  Ntr    120.001
   6    5    8  Car  Car  Ntr    120.000
   1    6    5  Car  Car  Car    120.002
   5    8    9  Car  Ntr   O2    120.001
   5    8   10  Car  Ntr   O-    120.000
   9    8   10   O2  Ntr   O-    119.999
   1   11   12  Car  Ntr   O2    120.001
   1   11   13  Car  Ntr   O-    120.000
  12   11   13   O2  Ntr   O-    119.999


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