Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H7N
Datos Químicos de C6H7N
ID
932
Molecular Scaffold
gFx@@eJf`@@@
Molecular Formula
C6H7N
Elemental Composition %
C: 42.8571428571429%
H: 50%
O: 0%
N: 7.14285714285714%
Weight
93.1286
Programa de Cálculo
G16
SMILES
Cc1cccnc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ITQTTZVARXURQS-UHFFFAOYSA-N