Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H9N
Datos Químicos de C8H9N
ID
37713
Molecular Scaffold
diN@@@RimdIJhVzjjjdhbHeR@
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@@]23C=CCN4[C@H]2[C@H]1[C@@H]34
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10N/c1-2-8-4-5-6(8)9(3-1)7(5)8/h1-2,5-7,9H,3-4H2/t5-,6-,7+,8+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ARZDWVJPTSZPIP-ODANAHCNSA-N