Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H9N
Datos Químicos de C8H9N
ID
40326
Molecular Scaffold
din@@@Ri_hqBrbkajjjjfBQDfHeR@
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)C1[C@@]12[C@H]3N4[C@@H]1[C@@H]2[C@H]34
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10N/c1-2-3(1)8-4-5-7(8)9(5)6(4)8/h3-7,9H,1-2H2/t4-,5-,6-,7+,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GGSGCFVYJPDCBW-ZXVYDBTHSA-N