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February 4, 2025
C2H4N2
C2H4N2
ID
32
Molecular Formula
C2H4N2
Elemental Composition %
C: 25%
H: 50%
O: 0%
N: 25%
Weight
56.0678
Programa de Cálculo
G16
SMILES
NCC#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H4N2/c3-1-2-4/h1,3H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DFNYGALUNNFWKJ-UHFFFAOYSA-N