Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H11N
Datos Químicos de C8H11N
ID
91830
Molecular Scaffold
gGp@DjVXvjjdP@
Molecular Formula
C8H11N
Elemental Composition %
C: 40%
H: 55%
O: 0%
N: 5%
Weight
121.182
Programa de Cálculo
G16
SMILES
C[C@@H](C[C@H]1C2)C[C@@]12C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11N/c1-6-2-7-4-8(7,3-6)5-9/h6-7H,2-4H2,1H3/t6-,7-,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JIRWLPJIZMXCFX-BWZBUEFSSA-N