Geometry & MOs

Info

ID:	12797
PubChem CID:	145667
Reduced:	O6H8C13 (1)
Stoich.:	A6B8C13 (1)
Weight, g/mol:	260.032088
ΔH_f, kcal/mol:	-178.28
Dipole, Da:	14.04
IP(EA), eV:	-9.11(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,8,9-tetrahydroxyxanthen-3-one

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1O)C(=C3C(=CC(=O)C=C3O2)O)O)O

DOS

IR

Vibrations