Geometry & MOs

Info

ID:	385084
PubChem CID:	134978285
Reduced:	O3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	358.141638
ΔH_f, kcal/mol:	-74.77
Dipole, Da:	2.96
IP(EA), eV:	-9.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4,4-dimethyl-2,6-dioxocyclohexyl)-3,4-dioxocyclobuten-1-yl]-5,5-dimethylcyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CCCCCCC1=C(C(=O)C1=O)C(C)(C2=CC=CC=C2)O

DOS

IR

Vibrations