Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H11N
Datos Químicos de C8H11N
ID
78699
Molecular Scaffold
dav@@@Rf~SDHj[jjjjJHbrD`@
Molecular Formula
C8H11N
Elemental Composition %
C: 40%
H: 55%
O: 0%
N: 5%
Weight
121.182
Programa de Cálculo
G16
SMILES
CN1[C@H]2[C@@H]3C4(CC4)[C@H]2[C@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11N/c1-9-6-4-7(9)5(6)8(4)2-3-8/h4-7H,2-3H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WJILHKGUZUEMDC-UHFFFAOYSA-N