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January 28, 2026
C6H9N
Datos Químicos de C6H9N
ID
3528
Molecular Scaffold
dfF@@@RidIJpjjjHEBRE@@
Molecular Formula
C6H9N
Elemental Composition %
C: 37.5%
H: 56.25%
O: 0%
N: 6.25%
Weight
95.1445
Programa de Cálculo
G16
SMILES
C[C@H]1[C@@H]2N3[C@H]1[C@H]2C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N/c1-3-5-4-2-7(5)6(3)4/h3-7H,2H2,1H3/t3-,4+,5+,6-
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UZAPQANHSSSOJN-GUCUJZIJSA-N