Geometry & MOs

Info

ID:	293428
PubChem CID:	117388535
Reduced:	FO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	254.095437
ΔH_f, kcal/mol:	-201.97
Dipole, Da:	4.78
IP(EA), eV:	-8.94(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-carboxy-2-methylpropan-2-yl)-3-fluoro-2-methylbenzoic acid

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C(=C2)CCCC(=O)O)F)OC1

DOS

IR

Vibrations