Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H9N
Datos Químicos de C8H9N
ID
78997
Molecular Scaffold
dav@@@RimSDhfkjjjjXIDQYBeHG|HVM`
Molecular Formula
C8H9N
Elemental Composition %
C: 44.4444444444444%
H: 50%
O: 0%
N: 5.55555555555556%
Weight
119.166
Programa de Cálculo
G16
SMILES
C[C@@H]1[C@]([CH][C@@H]23)[C@@H]4N2[C@H]3[C@@H]14
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11N/c1-3-4-2-5-8-6(3)7(4)9(5)8/h2-9H,1H3/t3-,4+,5-,6+,7-,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ADMJVNUROVJASC-NTZPWTIWSA-N