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January 28, 2026
C8H9N
Datos Químicos de C8H9N
ID
39735
Molecular Scaffold
diN@@@RiUhPjinFjjjh`TQERABUcX
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@@]([CH]C2)[C@@H]3N2[C@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H11N/c1-4-9-6-5(1)8(2-3-8)7(6)9/h1,5-7,9H,2-4H2/t5-,6-,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QIYANQPCHPMWNT-FSDSQADBSA-N