Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H9N
Datos Químicos de C8H9N
ID
133878
Molecular Scaffold
din@@@RieTpfKjZajjjjnAPdfHiTZ@@
Molecular Formula
C8H9N
Elemental Composition %
C: 44.4444444444444%
H: 50%
O: 0%
N: 5.55555555555556%
Weight
119.166
Programa de Cálculo
G16
SMILES
C1[C@]2(C[C@H]34)[C@H]5N3[C@@H]4[C@@H]2[C@H]15
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10N/c1-3-5-6-4-2-8(1,5)7(3)9(4)6/h3-7,9H,1-2H2/t3-,4-,5+,6-,7+,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WONNTIFQBRGKRD-SNZVZIACSA-N