Geometry & MOs

Info

ID:	264260
PubChem CID:	103447182
Reduced:	O2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	224.121258
ΔH_f, kcal/mol:	-154.7
Dipole, Da:	3.64
IP(EA), eV:	-9.08(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-(2-fluoro-5-methylphenyl)-2-hydroxybutan-1-one

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)C1=C(C=CC=C1OC)OC)O

DOS

IR

Vibrations