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January 28, 2026
C3H7N3O2
Datos Químicos de C3H7N3O2
ID
7420
Molecular Formula
C3H7N3O2
Elemental Composition %
C: 20%
H: 46.6666666666667%
O: 13.3333333333333%
N: 20%
Weight
117.108
Programa de Cálculo
G16
SMILES
NC(C(N)=O)C(N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H7N3O2/c4-1(2(5)7)3(6)8/h1H,4H2,(H2,5,7)(H2,6,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GFQBSQXXHYLABK-UHFFFAOYSA-N