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January 28, 2026
C8H9N
Datos Químicos de C8H9N
ID
39908
Molecular Scaffold
diN@@@Ri^hSJinFjjjh`dIIRABUcX
Molecular Formula
C8H9N
Elemental Composition %
C: 44.4444444444444%
H: 50%
O: 0%
N: 5.55555555555556%
Weight
119.166
Programa de Cálculo
G16
SMILES
C(C1)C11[C@@H]2N(C3)[C@@H]2[C@@]3[CH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11N/c1-2-8(1)3-5-4-9-6(5)7(8)9/h3,5-7,9H,1-2,4H2/t5-,6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IOMUDLVUOWJFNM-ACZMJKKPSA-N