Geometry & MOs

Info

ID:	329398
PubChem CID:	126736195
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	346.180504
ΔH_f, kcal/mol:	-54.68
Dipole, Da:	1.87
IP(EA), eV:	-9.34(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-fluoro-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-hydroxy-1,6-dimethylpyridin-4-one

Drug info:

PubChemData

Smile

CCC(CCC1=CC=CC=C1)CCO

DOS

IR

Vibrations