Geometry & MOs

Info

ID:	20160
PubChem CID:	580492
Reduced:	BrO4H9C12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	295.96842
ΔH_f, kcal/mol:	-93.91
Dipole, Da:	6.12
IP(EA), eV:	-9.46(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-bromophenoxy)methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC2=CC=C(O2)C(=O)O)Br

DOS

IR

Vibrations