Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H11N
Datos Químicos de C8H11N
ID
71806
Molecular Scaffold
dav@@@RiVaBhf[jjjjhEDrEF`@
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@@H]1[C@@H]2[C@@H]1[C@H]3C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H12N/c1-8-3-5-4-2-6(4)9(8)7(5)8/h4-7,9H,2-3H2,1H3/t4-,5+,6-,7+,8+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XVECPVCEWVCEKB-OMKQZNDVSA-N