Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H11N
Datos Químicos de C8H11N
ID
38494
Molecular Scaffold
diN@@@Ri^XpjkfFjjjh`THeR@
Molecular Formula
C8H11N
Elemental Composition %
C: 40%
H: 55%
O: 0%
N: 5%
Weight
121.182
Programa de Cálculo
G16
SMILES
C1N2[C@H]1[C@@](C1)(CC3)[C@]13C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H12N/c1-2-8-4-7(1,8)5-9-3-6(8)9/h6,9H,1-5H2/t6-,7+,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AZMIXPSMUGZREW-RNJXMRFFSA-N