Geometry & MOs

Info

ID:	9468
PubChem CID:	89776
Reduced:	IO4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	319.95456
ΔH_f, kcal/mol:	-128.49
Dipole, Da:	3.44
IP(EA), eV:	-9.44(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-acetyloxy-2-iodobenzoate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC(=C(C=C1)I)C(=O)OC

DOS

IR

Vibrations