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January 28, 2026
C5H7N
Datos Químicos de C5H7N
ID
201
Molecular Scaffold
gKX@@eKcRp@
Molecular Formula
C5H7N
Elemental Composition %
C: 38.4615384615385%
H: 53.8461538461539%
O: 0%
N: 7.69230769230769%
Weight
81.1176
Programa de Cálculo
G16
SMILES
Cc1c[nH]cc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FEKWWZCCJDUWLY-UHFFFAOYSA-N