Geometry & MOs

Info

ID:	269173
PubChem CID:	103616239
Reduced:	FO3H9C12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	280.147473
ΔH_f, kcal/mol:	-84.45
Dipole, Da:	6.06
IP(EA), eV:	-9.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-fluoro-2-heptoxyphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C#CCOC1=C(C=C(C=C1)F)/C=C/C(=O)O

DOS

IR

Vibrations