Geometry & MOs

Info

ID:	264258
PubChem CID:	103446976
Reduced:	BrO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	260.037085
ΔH_f, kcal/mol:	-121.26
Dipole, Da:	4.12
IP(EA), eV:	-8.88(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-2-ethyl-2-hydroxybutan-1-one

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)CC1=C(C=CC(=C1)Br)OC)O

DOS

IR

Vibrations