Geometry & MOs

Info

ID:	10022
PubChem CID:	96470
Reduced:	OC7H7 (2)
Stoich.:	AB7C7 (2)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	-44.66
Dipole, Da:	1.19
IP(EA), eV:	-10.22(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylnaphthalene-1,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations