Geometry & MOs

Info

ID:	8994
PubChem CID:	84844
Reduced:	O5H14C16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	286.084124
ΔH_f, kcal/mol:	-173.8
Dipole, Da:	2.17
IP(EA), eV:	-9.28(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-3,6-dimethoxy-8-methylxanthen-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C(=C3C(=CC(=CC3=O)OC)O2)O)OC

DOS

IR

Vibrations