Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H11N
Datos Químicos de C8H11N
ID
66564
Molecular Scaffold
dnV@@@RimLPbZfjjjbAQDaP@
Molecular Formula
C8H11N
Elemental Composition %
C: 40%
H: 55%
O: 0%
N: 5%
Weight
121.182
Programa de Cálculo
G16
SMILES
C[C@]1([C@H]23)N2[C@H]2[C@@H]3[C@]1(C)C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H12N/c1-7-3-4-5(7)6-8(7,2)9(4)6/h4-6,9H,3H2,1-2H3/t4-,5+,6-,7+,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BAXXHMDBKXYSGU-RZUNNTJFSA-N