Geometry & MOs

Info

ID:	294470
PubChem CID:	117462666
Reduced:	BrO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	285.98407
ΔH_f, kcal/mol:	-139.84
Dipole, Da:	4.97
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C2C(=C(C(=C1)CC(=O)O)Br)CCO2

DOS

IR

Vibrations