Geometry & MOs

Info

ID:	1675
PubChem CID:	4861
Reduced:	O7C21H24 (1)
Stoich.:	A7B21C24 (1)
Weight, g/mol:	388.152203
ΔH_f, kcal/mol:	-277.1
Dipole, Da:	5.93
IP(EA), eV:	-8.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C3=C(CC(CC3=O)C(C(=O)C(C(C)O)O)OC)C=C2C=C1)O)O

DOS

IR

Vibrations