Geometry & MOs

Info

ID:	294380
PubChem CID:	117454992
Reduced:	BrO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	283.085601
ΔH_f, kcal/mol:	-72.25
Dipole, Da:	3.72
IP(EA), eV:	-8.9(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-hydroxy-5-nitrophenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=C2CCCCC2=C1)Br)OC

DOS

IR

Vibrations