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October 10, 2024
C2H3N
C2H3N
ID
10
Molecular Formula
C2H3N
Elemental Composition %
C: 33.3333333333333%
H: 50%
O: 0%
N: 16.6666666666667%
Weight
41.0528
Programa de Cálculo
G16
SMILES
CC#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WEVYAHXRMPXWCK-UHFFFAOYSA-N