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January 28, 2026
C8H11N
Datos Químicos de C8H11N
ID
41212
Molecular Scaffold
diV@@@RfUz[ajjjdbM@_pPIFM`x
Molecular Formula
C8H11N
Elemental Composition %
C: 40%
H: 55%
O: 0%
N: 5%
Weight
121.182
Programa de Cálculo
G16
SMILES
C(C1)[CH][C@@]2C[C@@]1[N]CC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14N/c1-2-7-4-5-9-8(3-1)6-7/h2,7-9H,1,3-6H2/t7-,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BNZXLVINRVVJIK-JGVFFNPUSA-N