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January 28, 2026
C3H2N2O
Datos Químicos de C3H2N2O
ID
334
Molecular Formula
C3H2N2O
Elemental Composition %
C: 37.5%
H: 25%
O: 12.5%
N: 25%
Weight
82.0619
Programa de Cálculo
G16
SMILES
N#CC(C#N)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QUAISPSYUPGGDD-UHFFFAOYSA-N