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January 28, 2026
C8H11N
Datos Químicos de C8H11N
ID
24580
Molecular Scaffold
diV@@@Rf^|kaifj`@
Molecular Formula
C8H11N
Elemental Composition %
C: 40%
H: 55%
O: 0%
N: 5%
Weight
121.182
Programa de Cálculo
G16
SMILES
C(C1)CC1c1ccc[nH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11N/c1-3-7(4-1)8-5-2-6-9-8/h2,5-7,9H,1,3-4H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QNJVLTGDQRRGSC-UHFFFAOYSA-N