Geometry & MOs

Info

ID:	58973
PubChem CID:	24770023
Reduced:	OC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	356.125988
ΔH_f, kcal/mol:	-81.91
Dipole, Da:	3.32
IP(EA), eV:	-8.48(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetyloxy-5,8a-dimethyl-6,10-dioxo-8,9-dihydro-7H-anthracen-1-yl) acetate

Drug info:

PubChemData

Smile

CCCCOC1=C(C=CC=C1OCCC(C)C)CC=C

DOS

IR

Vibrations