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January 28, 2026
C3H2N3O2CHHH
Datos Químicos de C3H2N3O2CHHH
ID
125495
Molecular Scaffold
gF}@LZDidvfXADV@
Molecular Formula
C3H2N3O2CHHH
Elemental Composition %
C: 28.5714285714286%
H: 35.7142857142857%
O: 14.2857142857143%
N: 21.4285714285714%
Weight
127.103
Programa de Cálculo
G16
SMILES
N=C1O[C]=NN1C=O.[H].[H].[H].[C]
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H3N3O2.CH4.3H2/c4-3-6(2-7)5-1-8-3;;;;/h1-2,4H;1H4;3*1H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HMIVNDDNEFWPBI-UHFFFAOYSA-N