Geometry & MOs

Info

ID:	202675
PubChem CID:	79709321
Reduced:	FO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	280.111087
ΔH_f, kcal/mol:	-107.13
Dipole, Da:	3.92
IP(EA), eV:	-9.14(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-fluoro-5-(oxolan-2-ylmethoxymethyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC(=CC(=C2)F)C=CC(=O)O

DOS

IR

Vibrations