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January 28, 2026
C5H9N
Datos Químicos de C5H9N
ID
220
Molecular Formula
C5H9N
Elemental Composition %
C: 33.3333333333333%
H: 60%
O: 0%
N: 6.66666666666667%
Weight
83.1335
Programa de Cálculo
G16
SMILES
CC(C)(C)C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JAMNHZBIQDNHMM-UHFFFAOYSA-N