Geometry & MOs

Info

ID:	20989
PubChem CID:	586634
Reduced:	O3C8H10 (2)
Stoich.:	A3B8C10 (2)
Weight, g/mol:	308.125988
ΔH_f, kcal/mol:	-236.55
Dipole, Da:	1.27
IP(EA), eV:	-10.5(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10,13-tetrone

Drug info:

PubChemData

Smile

CC1CCC(=O)C=CC(=O)OC(CCC(=O)C=CC(=O)O1)C

DOS

IR

Vibrations