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January 28, 2026
C3H2N2
Datos Químicos de C3H2N2
ID
109
Molecular Formula
C3H2N2
Elemental Composition %
C: 42.8571428571429%
H: 28.5714285714286%
O: 0%
N: 28.5714285714286%
Weight
66.0629
Programa de Cálculo
G16
SMILES
N#CCC#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H2N2/c4-2-1-3-5/h1H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CUONGYYJJVDODC-UHFFFAOYSA-N