Geometry & MOs

Info

ID:	402708
PubChem CID:	135056975
Reduced:	BrO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	257.98916
ΔH_f, kcal/mol:	-52.79
Dipole, Da:	4.76
IP(EA), eV:	-9.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromophenyl)-1,4-dihydroxybutan-2-one

Drug info:

PubChemData

Smile

C1CC=C([C@H](C1)O)C(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations