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January 28, 2026
C3H8N2O
Datos Químicos de C3H8N2O
ID
264
Molecular Formula
C3H8N2O
Elemental Composition %
C: 21.4285714285714%
H: 57.1428571428571%
O: 7.14285714285714%
N: 14.2857142857143%
Weight
88.1095
Programa de Cálculo
G16
SMILES
CCNC(N)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RYECOJGRJDOGPP-UHFFFAOYSA-N