Geometry & MOs

Info

ID:	261247
PubChem CID:	103224159
Reduced:	BrFO4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	308.183503
ΔH_f, kcal/mol:	-182.44
Dipole, Da:	1.43
IP(EA), eV:	-9.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

COCC(C(=O)O)OC1=CC(=C(C=C1)F)Br

DOS

IR

Vibrations