Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H11N
Datos Químicos de C8H11N
ID
71219
Molecular Scaffold
daV@@@RigRlYnjjZlAHf`@
Molecular Formula
C8H11N
Elemental Composition %
C: 40%
H: 55%
O: 0%
N: 5%
Weight
121.182
Programa de Cálculo
G16
SMILES
C[C@@]1(C2)N(C3)[C@H]2[C@@H]3C=C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H12N/c1-8-3-2-6-5-9(8)7(6)4-8/h2-3,6-7,9H,4-5H2,1H3/t6-,7+,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IMZIKRFLJYKUPU-GJMOJQLCSA-N