Geometry & MOs

Info

ID:	15320
PubChem CID:	438025
Reduced:	O3H5C7 (2)
Stoich.:	A3B5C7 (2)
Weight, g/mol:	274.047738
ΔH_f, kcal/mol:	-174.78
Dipole, Da:	2.38
IP(EA), eV:	-10.7(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1,4-dioxonaphthalene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)C(=O)OC

DOS

IR

Vibrations