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Products Information


ID: 1701407926
Supplier:Focus Synthesis LLC.

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SMILES:C(=O)(NCCN)C	
FORMULA: C4H10N2O
MASS: 102.1350
EXACT MASS: 102.0793130
INTERATOMIC DISTANCES

              C   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    0.8250     0.0000 
   N   3    0.8250     1.4362     0.0000 
   N   4    2.4508     2.5388     1.8308     0.0000 
   C   5    0.8240     1.4245     1.4244     3.2114     0.0000 
   C   6    1.2970     1.4505     0.8219     1.1590     2.0821     0.0000 
   C   7    1.9119     2.2493     1.1539     0.8276     2.5783     0.8266 

              C   7
              -----------
   C   7    0.0000 



ATOMIC CHARGES
   C   1    0.2419146411
   O   2   -0.2733287704
   N   3   -0.2038168776
   N   4   -0.1294393927
   C   5    0.0964245583
   C   6    0.1355867369
   C   7    0.1326591044


BOND ANGLES
   2    1    3   O2   C2  Nam    121.010
   2    1    5   O2   C2   C3    119.503
   3    1    5  Nam   C2   C3    119.487
   1    3    6   C2  Nam   C3    103.910
   3    6    7  Nam   C3   C3     88.849
   4    7    6   N3   C3   C3     88.959


TORSION ANGLES
   6    3    1    2      0.026
   6    3    1    5    179.974
   7    6    3    1    179.974
   4    7    6    3    179.974