Geometry & MOs

Info

ID:	292735
PubChem CID:	117357524
Reduced:	F2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	242.111836
ΔH_f, kcal/mol:	-188.59
Dipole, Da:	4.17
IP(EA), eV:	-9.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=C(C=CC=C1F)CCCC(=O)O)F

DOS

IR

Vibrations