Sign In Join Free

Products Information

(Z)-N'-hydroxynicotinamidine
(Z)-N'-hydroxynicotinamidine
ID: BP-11681
CAS:1594-58-7
Supplier:BroadPharm

Get a quote


SMILES:C(=N\O)(/c1cnccc1)\N	
FORMULA: C6H7N3O
MASS: 137.1393
EXACT MASS: 137.0589119
INTERATOMIC DISTANCES

              C   1      C   2      N   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6010     0.0000 
   N   3    0.6000     1.0398     0.0000 
   N   4    1.5863     1.0378     2.0776     0.0000 
   N   5    0.5993     1.1096     0.9509     1.9255     0.0000 
   C   6    1.0398     0.6000     1.5878     0.5975     1.3290     0.0000 
   O   7    1.0399     1.5891     0.6011     2.6151     1.0557     2.0797 
   C   8    1.0375     0.5975     1.1985     1.2000     1.6240     1.0378 
   C   9    1.7995     1.1985     2.1629     0.6010     2.2639     1.0375 
   C  10    1.5869     1.0375     1.7995     1.0398     2.1425     1.1985 

              O   7      C   8      C   9      C  10
              --------------------------------------------
   O   7    0.0000 
   C   8    1.7996     0.0000 
   C   9    2.7501     1.0398     0.0000 
   C  10    2.4006     0.6010     0.6000     0.0000 



ATOMIC CHARGES
   C   1    0.4648991673
   C   2    0.1139306998
   N   3    0.2159667043
   N   4   -0.2420615503
   N   5    0.2207985901
   C   6    0.1066498488
   O   7   -0.0109748777
   C   8    0.0109696961
   C   9    0.0988906598
   C  10    0.0209310618


BOND ANGLES
   2    1    3  Car   C2   N2    119.944
   2    1    5  Car   C2  Npl    135.158
   3    1    5   N2   C2  Npl    104.899
   1    2    6   C2  Car  Car    119.944
   1    2    8   C2  Car  Car    119.917
   6    2    8  Car  Car  Car    120.140
   1    3    7   C2   N2   O2    119.939
   6    4    9  Car  Nar  Car    119.917
   2    6    4  Car  Car  Nar    120.140
   2    8   10  Car  Car  Car    119.917
   4    9   10  Nar  Car  Car    119.944
   8   10    9  Car  Car  Car    119.944


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