Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H11N
Datos Químicos de C8H11N
ID
90210
Molecular Scaffold
dav@@@RfnSBXnijjjjJIbJM@@
Molecular Formula
C8H11N
Elemental Composition %
C: 40%
H: 55%
O: 0%
N: 5%
Weight
121.182
Programa de Cálculo
G16
SMILES
CN(C1)[C@@]2(C3)[C@]11[C@H]3[C@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11N/c1-9-4-7-2-6-5(7)3-8(6,7)9/h5-6H,2-4H2,1H3/t5-,6-,7-,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZCFUEYZKRZAVEE-WCTZXXKLSA-N