Geometry & MOs

Info

ID:	7020
PubChem CID:	70996
Reduced:	H3O3C4 (2)
Stoich.:	A3B3C4 (2)
Weight, g/mol:	198.016438
ΔH_f, kcal/mol:	-78.81
Dipole, Da:	3.65
IP(EA), eV:	-10.69(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzene-1,2-dicarboperoxoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)OO)C(=O)OO

DOS

IR

Vibrations