Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H11N
Datos Químicos de C8H11N
ID
41264
Molecular Scaffold
diN@@@rRJFYBrj[ajjjjhIBIUFP@
Molecular Formula
C8H11N
Elemental Composition %
C: 40%
H: 55%
O: 0%
N: 5%
Weight
121.182
Programa de Cálculo
G16
SMILES
C(C1)[C@@H]([C@@H]2C3)[C@@]11[C@H]2N3C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H12N/c1-2-8-4-9-3-5(6(1)8)7(8)9/h5-7,9H,1-4H2/t5-,6+,7-,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CPNAXDPUSSETRW-FKSUSPILSA-N