Geometry & MOs

Info

ID:	295035
PubChem CID:	117512453
Reduced:	BrFO4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	332.00595
ΔH_f, kcal/mol:	-177.27
Dipole, Da:	1.78
IP(EA), eV:	-9.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-2-fluoro-3-hydroxy-4-methoxyphenyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1O)C(CC(=O)O)C2CC2)F)Br

DOS

IR

Vibrations