Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H9N
Datos Químicos de C8H9N
ID
37656
Molecular Scaffold
din@@@RiVXPfkjEnjjjjaAQDVPeTZ`@
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@@H]2[C@H]3N4[C@H]3[C@H]1[C@H]1[C@@H]4[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10N/c1-2-4-5-3(1)7-6(2)9(7)8(4)5/h2-9H,1H2/t2-,3-,4-,5+,6-,7+,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YAAFOEBRGALWKX-KWPIVUEUSA-N