Geometry & MOs

Info

ID:	381464
PubChem CID:	134972215
Reduced:	OC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	508.136947
ΔH_f, kcal/mol:	-11.1
Dipole, Da:	5.01
IP(EA), eV:	-10.17(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S,6S)-5,6-diacetyloxy-1,11-dimethoxy-7,12-dioxo-5,6-dihydrobenzo[a]anthracen-3-yl]methyl acetate

Drug info:

PubChemData

Smile

CC=C=CC(CCC#C)C(=O)O

DOS

IR

Vibrations