Geometry & MOs

Info

ID:	293572
PubChem CID:	117393509
Reduced:	FO5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	256.074702
ΔH_f, kcal/mol:	-210.65
Dipole, Da:	5.65
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-fluoro-2,5-dimethoxyphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=C(C=CC(=C1OC)OC)F

DOS

IR

Vibrations