Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H9N
Datos Químicos de C8H9N
ID
74595
Molecular Scaffold
dav@@@RiUaLjf[jjfjXIBRYJSP@
Molecular Formula
C8H9N
Elemental Composition %
C: 44.4444444444444%
H: 50%
O: 0%
N: 5.55555555555556%
Weight
119.166
Programa de Cálculo
G16
SMILES
CC1=C[C@@H]2N3[C@@H]2[C@@H]2[C@H]3[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10N/c1-3-2-4-7-6-5(3)8(6)9(4)7/h2,4-9H,1H3/t4-,5-,6-,7-,8+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BGRCDZGGNILXRI-PVFLNQBWSA-N