Geometry & MOs

Info

ID:	264381
PubChem CID:	103458373
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	254.131823
ΔH_f, kcal/mol:	-133.9
Dipole, Da:	5.94
IP(EA), eV:	-9.39(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-hydroxypentan-1-one

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C(=O)C(C(CC)CC)O

DOS

IR

Vibrations