Geometry & MOs

Info

ID:	310825
PubChem CID:	126587928
Reduced:	FO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	442.04412
ΔH_f, kcal/mol:	-158.99
Dipole, Da:	2.24
IP(EA), eV:	-8.55(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[(4-ethyl-2-fluoro-5-methylphenoxy)methyl]-3-iodophenyl]acetate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2CC(=O)OC)C)F

DOS

IR

Vibrations