Geometry & MOs

Info

ID:	17540
PubChem CID:	503726
Reduced:	O3C8H10 (3)
Stoich.:	A3B8C10 (3)
Weight, g/mol:	462.188983
ΔH_f, kcal/mol:	-387.77
Dipole, Da:	4.31
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-butan-2-yl-3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-2,6,8,9-tetrahydroxy-3,4-dihydro-2H-anthracen-1-one

Drug info:

PubChemData

Smile

CCC(C)C1=C(C2=C(C3=C(CC(C(C3=O)O)C(C(=O)C(C(C)O)O)OC)C=C2C=C1O)O)O

DOS

IR

Vibrations