Geometry & MOs

Info

ID:	8827
PubChem CID:	81987
Reduced:	OC5H5 (2)
Stoich.:	AB5C5 (2)
Weight, g/mol:	162.06808
ΔH_f, kcal/mol:	-48.6
Dipole, Da:	1.19
IP(EA), eV:	-10.31(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,7,8-tetrahydronaphthalene-1,4-dione

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=O)C=CC2=O

DOS

IR

Vibrations