Geometry & MOs

Info

ID:	294787
PubChem CID:	117491677
Reduced:	O2C9H13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	305.9903
ΔH_f, kcal/mol:	-182.32
Dipole, Da:	4.62
IP(EA), eV:	-9.31(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)O

DOS

IR

Vibrations