Geometry & MOs

Info

ID:	283314
PubChem CID:	103973637
Reduced:	O5C11H20 (1)
Stoich.:	A5B11C20 (1)
Weight, g/mol:	347.98586
ΔH_f, kcal/mol:	-257.15
Dipole, Da:	5.17
IP(EA), eV:	-10.67(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-2-[(4-iodophenyl)methyl]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CCOC(C)(C)C)C(=O)O

DOS

IR

Vibrations