Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H9N
Datos Químicos de C8H9N
ID
37756
Molecular Scaffold
diN@@@RigTKBinFjjjj`TIHTj@aJql@
Molecular Formula
C8H9N
Elemental Composition %
C: 44.4444444444444%
H: 50%
O: 0%
N: 5.55555555555556%
Weight
119.166
Programa de Cálculo
G16
SMILES
C1N2[C@@H]3[C@]11[C@H]2[CH][C@]3CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11N/c1-2-8-4-9-6(8)3-5(1)7(8)9/h3,5-7,9H,1-2,4H2/t5-,6-,7-,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KCZRCSGWSIPSST-DKXJUACHSA-N