Geometry & MOs

Info

ID:	294237
PubChem CID:	117439432
Reduced:	BrFO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	273.98407
ΔH_f, kcal/mol:	-130.74
Dipole, Da:	5.48
IP(EA), eV:	-9.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methoxy-6-(methoxymethyl)benzoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C2C(=C1F)OCCO2)Br

DOS

IR

Vibrations