Geometry & MOs

Info

ID:	294195
PubChem CID:	117434472
Reduced:	ClFO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	272.06155
ΔH_f, kcal/mol:	-142.68
Dipole, Da:	5.08
IP(EA), eV:	-9.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=CC(=C(C(=C2OC1)CC3(CC3)O)F)Cl

DOS

IR

Vibrations