Geometry & MOs

Info

ID:	269172
PubChem CID:	103616238
Reduced:	FO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	220.053572
ΔH_f, kcal/mol:	-122.79
Dipole, Da:	5.8
IP(EA), eV:	-9.32(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCCOC1=C(C=C(C=C1)F)/C=C/C(=O)O

DOS

IR

Vibrations