Geometry & MOs

Info

ID:	294892
PubChem CID:	117502744
Reduced:	BrO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	316.04742
ΔH_f, kcal/mol:	-158.43
Dipole, Da:	2.79
IP(EA), eV:	-8.98(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1CC(C)C(=O)O)Br)OC

DOS

IR

Vibrations