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January 28, 2026
C2H5N3O2
Datos Químicos de C2H5N3O2
ID
1119
Molecular Formula
C2H5N3O2
Elemental Composition %
C: 16.6666666666667%
H: 41.6666666666667%
O: 16.6666666666667%
N: 25%
Weight
103.081
Programa de Cálculo
G16
SMILES
NC(NC(N)=O)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OHJMTUPIZMNBFR-UHFFFAOYSA-N