Geometry & MOs

Info

ID:	1428
PubChem CID:	4407
Reduced:	ClH2O2C5 (2)
Stoich.:	AB2C2D5 (2)
Weight, g/mol:	257.948664
ΔH_f, kcal/mol:	-118.34
Dipole, Da:	0.5
IP(EA), eV:	-9.38(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dichloro-5,8-dihydroxynaphthalene-1,4-dione

Drug info:

PubChemData

Smile

C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)Cl)O

DOS

IR

Vibrations