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January 28, 2026
C3H6N4O2
Datos Químicos de C3H6N4O2
ID
55607
Molecular Formula
C3H6N4O2
Elemental Composition %
C: 20%
H: 40%
O: 13.3333333333333%
N: 26.6666666666667%
Weight
130.107
Programa de Cálculo
G16
SMILES
NC(NC(NC=N)=O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H6N4O2/c4-1-6-3(9)7-2(5)8/h1H,(H5,4,5,6,7,8,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZHWJQOWBFMQENJ-UHFFFAOYSA-N