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January 28, 2026
C6H9N
Datos Químicos de C6H9N
ID
2892
Molecular Scaffold
gKP@DiZj@@
Molecular Formula
C6H9N
Elemental Composition %
C: 37.5%
H: 56.25%
O: 0%
N: 6.25%
Weight
95.1445
Programa de Cálculo
G16
SMILES
N#CC1CCCC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H9N/c7-5-6-3-1-2-4-6/h6H,1-4H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SVPZJHKVRMRREG-UHFFFAOYSA-N