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N'-hydroxymorpholine-4-carboxamidine
N'-hydroxymorpholine-4-carboxamidine
ID: BP-11894
Supplier:BroadPharm

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SMILES:C1OCCN(C1)/C(=N/O)/N	
FORMULA: C5H11N3O2
MASS: 145.1597
EXACT MASS: 145.0851266
INTERATOMIC DISTANCES

              C   1      O   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    0.6001     0.0000 
   C   3    1.0393     0.6000     0.0000 
   C   4    1.2000     1.0392     0.6000     0.0000 
   N   5    1.0392     1.2000     1.0393     0.6001     0.0000 
   C   6    0.5999     1.0392     1.2000     1.0392     0.5999     0.0000 
   C   7    1.6262     1.7863     1.5238     0.9521     0.6000     1.1087 
   N   8    2.1984     2.2788     1.9049     1.3053     1.1592     1.7054 
   N   9    1.7877     2.1124     1.9879     1.4746     0.9529     1.1912 
   O  10    2.1862     2.3848     2.1117     1.5243     1.1899     1.6260 

              C   7      N   8      N   9      O  10
              --------------------------------------------
   C   7    0.0000 
   N   8    0.6000     0.0000 
   N   9    0.6000     0.9511     0.0000 
   O  10    0.6003     0.4603     0.5979     0.0000 



ATOMIC CHARGES
   C   1    0.1826249790
   O   2   -0.3468057274
   C   3    0.1826249790
   C   4    0.1996306835
   N   5   -0.1850446092
   C   6    0.1996306835
   C   7    0.4884326589
   N   8    0.1475402428
   N   9    0.1718763234
   O  10   -0.0505102137


BOND ANGLES
   2    1    6   O3   C3   C3    119.992
   1    2    3   C3   O3   C3    120.001
   2    3    4   O3   C3   C3    119.999
   3    4    5   C3   C3  Npl    120.001
   4    5    6   C3  Npl   C3    119.992
   4    5    7   C3  Npl   C+    104.990
   6    5    7   C3  Npl   C+    135.017
   1    6    5   C3   C3  Npl    120.015
   5    7    8  Npl   C+  Npl    150.019
   5    7    9  Npl   C+   N2    105.134
   8    7    9  Npl   C+   N2    104.847
   7    9   10   C+   N2   O2     60.148


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