Geometry & MOs

Info

ID:	372715
PubChem CID:	131303121
Reduced:	BrO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	285.98407
ΔH_f, kcal/mol:	-151.77
Dipole, Da:	2.6
IP(EA), eV:	-10.22(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-bromo-2-oxopropyl)-6-(hydroxymethyl)benzoic acid

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C=CC(=C1)CO)C(=O)O)Br

DOS

IR

Vibrations