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January 28, 2026
C2H5N3O
Datos Químicos de C2H5N3O
ID
247
Molecular Formula
C2H5N3O
Elemental Composition %
C: 18.1818181818182%
H: 45.4545454545455%
O: 9.09090909090909%
N: 27.2727272727273%
Weight
87.0817
Programa de Cálculo
G16
SMILES
NC(NC=N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NSXXTVMAZMBOSO-UHFFFAOYSA-N