Geometry & MOs

Info

ID:	294890
PubChem CID:	117502599
Reduced:	BrFO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	316.01104
ΔH_f, kcal/mol:	-169.45
Dipole, Da:	5.95
IP(EA), eV:	-9.55(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2-fluoro-6-hydroxyphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC(=C(C=C2F)O)Br)C(=O)O

DOS

IR

Vibrations