Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H9N
Datos Químicos de C8H9N
ID
39700
Molecular Scaffold
din@@@rRJGQLRlJfxZjjji`TIIbIU@@
Molecular Formula
C8H9N
Elemental Composition %
C: 44.4444444444444%
H: 50%
O: 0%
N: 5.55555555555556%
Weight
119.166
Programa de Cálculo
G16
SMILES
C(C1)C11[C@@H]([C@H]23)[C@H]4N2[C@@H]3[C@H]14
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10N/c1-2-8(1)3-5-4(8)7-6(3)9(5)7/h3-7,9H,1-2H2/t3-,4-,5-,6+,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OWCLKUGGEWXUMM-ZVPSTABDSA-N