Geometry & MOs

Info

ID:	269174
PubChem CID:	103616241
Reduced:	FO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	282.126737
ΔH_f, kcal/mol:	-165.0
Dipole, Da:	5.79
IP(EA), eV:	-9.25(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(2-butoxyethoxy)-5-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCOC1=C(C=C(C=C1)F)/C=C/C(=O)O

DOS

IR

Vibrations