Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H9N
Datos Químicos de C8H9N
ID
66787
Molecular Scaffold
daN@@@RimSDJfkfzjjjk`dIEdjLn`@
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@]12[C@H]3N4[C@@H]1[C@H]4[C@H]1[C@@H]2[C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10N/c1-8-4-2-3(4)6(8)9-5(2)7(8)9/h2-7,9H,1H3/t2-,3+,4-,5+,6+,7-,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XXIKJMBONRFRMX-HSOGNQKASA-N