Geometry & MOs

Info

ID:	200760
PubChem CID:	79439394
Reduced:	FO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	254.131823
ΔH_f, kcal/mol:	-107.08
Dipole, Da:	4.5
IP(EA), eV:	-10.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-2-(2-fluorophenyl)butanoic acid

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC=CC=C2F)C(=O)O

DOS

IR

Vibrations