Geometry & MOs

Info

ID:	384095
PubChem CID:	134976325
Reduced:	IOH4C8 (2)
Stoich.:	ABC4D8 (2)
Weight, g/mol:	342.058697
ΔH_f, kcal/mol:	67.66
Dipole, Da:	5.15
IP(EA), eV:	-9.17(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[2-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-3,4-dioxocyclobuten-1-yl]propanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C(C(=O)C2=O)C3=CC=CC=C3I)I

DOS

IR

Vibrations