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January 28, 2026
C8H11N
Datos Químicos de C8H11N
ID
24421
Molecular Scaffold
diV@@@RfU|kaifj`@
Molecular Formula
C8H11N
Elemental Composition %
C: 40%
H: 55%
O: 0%
N: 5%
Weight
121.182
Programa de Cálculo
G16
SMILES
C(CC1)Cc2c1[nH]cc2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6,9H,1-4H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KQBVVLOYXDVATK-UHFFFAOYSA-N