Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H11N
Datos Químicos de C8H11N
ID
71063
Molecular Scaffold
dnf@@@RiVDJbZjji@QPG|HVM`
Molecular Formula
C8H11N
Elemental Composition %
C: 40%
H: 55%
O: 0%
N: 5%
Weight
121.182
Programa de Cálculo
G16
SMILES
C[C@@]1(C2)N3[C@]1(C)[C@@]2[CH]C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H13N/c1-7-5-6-3-4-9(7)8(6,7)2/h3,6,9H,4-5H2,1-2H3/t6-,7+,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DPOKUDFFGDISGV-GJMOJQLCSA-N