Geometry & MOs

Info

ID:	294643
PubChem CID:	117477873
Reduced:	ClF3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	296.00481
ΔH_f, kcal/mol:	-288.92
Dipole, Da:	2.63
IP(EA), eV:	-9.67(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-1-benzofuran-5-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=CC(=C(C=C1C(F)(F)F)O)Cl

DOS

IR

Vibrations