Geometry & MOs

Info

ID:	294889
PubChem CID:	117502492
Reduced:	BrO5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	316.01104
ΔH_f, kcal/mol:	-182.38
Dipole, Da:	1.71
IP(EA), eV:	-9.08(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-fluoro-4-hydroxyphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC2=C(C(=C1C)Br)OCO2)O

DOS

IR

Vibrations