Geometry & MOs

Info

ID:	176058
PubChem CID:	75989797
Reduced:	FO2H9C15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	248.068473
ΔH_f, kcal/mol:	-52.4
Dipole, Da:	4.73
IP(EA), eV:	-9.68(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methoxy-3-oxo-2-benzofuran-1-ylidene)ethyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=C2C3=C(C=C(C=C3)F)C(=O)O2

DOS

IR

Vibrations