Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H9N
Datos Químicos de C8H9N
ID
37765
Molecular Scaffold
diN@@@rRJJGJsb[ajjjfXEDQYJWP@
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@@H]23)[C@@H]3[C@H]3N2[C@@H]1C=C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10N/c1-2-7-5-3-4-6(1)9(7)8(4)5/h1-2,4-9H,3H2/t4-,5-,6-,7+,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
COUQQOCPHOYAPU-ZXVYDBTHSA-N