Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H7N
Datos Químicos de C6H7N
ID
3537
Molecular Scaffold
dnf@@@RieJrbZjjd`TQIT@
Molecular Formula
C6H7N
Elemental Composition %
C: 42.8571428571429%
H: 50%
O: 0%
N: 7.14285714285714%
Weight
93.1286
Programa de Cálculo
G16
SMILES
C1N2[C@@H]3C=C[C@H]2[C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8N/c1-2-6-4-3-7(6)5(1)4/h1-2,4-7H,3H2/t5-,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SSMFAJFECGKQLB-WDSKDSINSA-N