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1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
ID: BP-11221
Supplier:BroadPharm

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SMILES:n1c(noc1CN)c1ncccc1	
FORMULA: C8H8N4O
MASS: 176.1753
EXACT MASS: 176.0698109
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2526     0.0000 
   N   3    2.0250     1.2526     0.0000 
   C   4    1.2491     2.0239     2.0228     0.0000 
   O   5    2.0228     2.0239     1.2491     1.2500     0.0000 
   C   6    2.2305     1.2500     2.2305     3.2359     3.2359     0.0000 
   N   7    2.6136     2.1676     3.3519     3.8280     4.1681     1.2543 
   C   8    2.2277     3.2381     3.2374     1.2526     2.2305     4.4036 
   N   9    3.3415     4.1627     3.8220     2.1617     2.6073     5.3924 
   C  10    3.8632     3.3088     4.3965     5.0711     5.3325     2.1676 
   C  11    3.3493     2.1654     2.6135     4.1663     3.8275     1.2507 
   C  12    4.6003     3.7500     4.6003     5.7093     5.7093     2.5000 
   C  13    4.3945     3.3074     3.8631     5.3311     5.0708     2.1654 

              N   7      C   8      N   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    4.8204     0.0000 
   N   9    5.9547     1.2476     0.0000 
   C  10    1.2500     6.0687     7.2039     0.0000 
   C  11    2.1708     5.3983     6.2562     2.5050     0.0000 
   C  12    2.1676     6.8249     7.8710     1.2543     2.1654     0.0000 
   C  13    2.5050     6.5373     7.4550     2.1708     1.2500     1.2507 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   N   1   -0.1881961790
   C   2    0.2210693876
   N   3   -0.0543823218
   C   4    0.2560350667
   O   5   -0.3354072334
   C   6    0.1202731564
   N   7   -0.2406335587
   C   8    0.1967555613
   N   9   -0.1207644068
   C  10    0.0989448153
   C  11    0.0223812173
   C  12    0.0206825663
   C  13    0.0032419288


BOND ANGLES
   2    1    4  Car  Nar  Car    107.997
   1    2    3  Nar  Car  Nar    107.861
   1    2    6  Nar  Car  Car    126.069
   3    2    6  Nar  Car  Car    126.069
   2    3    5  Car  Nar   O2    107.997
   1    4    5  Nar  Car   O2    108.072
   1    4    8  Nar  Car   C3    125.858
   5    4    8   O2  Car   C3    126.069
   3    5    4  Nar   O2  Car    108.072
   2    6    7  Car  Car  Nar    119.887
   2    6   11  Car  Car  Car    119.982
   7    6   11  Nar  Car  Car    120.131
   6    7   10  Car  Nar  Car    119.887
   4    8    9  Car   C3   N3    119.677
   7   10   12  Nar  Car  Car    119.887
   6   11   13  Car  Car  Car    119.982
  10   12   13  Car  Car  Car    120.131
  11   13   12  Car  Car  Car    119.982


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