Geometry & MOs

Info

ID:	337849
PubChem CID:	127258472
Reduced:	PO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	260.125988
ΔH_f, kcal/mol:	-130.64
Dipole, Da:	4.34
IP(EA), eV:	-9.73(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-2-ethyl-5-methyl-3-oxoheptanedioic acid

Drug info:

PubChemData

Smile

CCCC(=O)OCCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations