Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H11N
Datos Químicos de C8H11N
ID
28563
Molecular Scaffold
daf@@@Rf^rfzfZh@@
Molecular Formula
C8H11N
Elemental Composition %
C: 40%
H: 55%
O: 0%
N: 5%
Weight
121.182
Programa de Cálculo
G16
SMILES
Cc1ccc(C2CC2)[nH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11N/c1-6-2-5-8(9-6)7-3-4-7/h2,5,7,9H,3-4H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KXDTZEKVOGHYFD-UHFFFAOYSA-N