Geometry & MOs

Info

ID:	6899
PubChem CID:	70420
Reduced:	O5H12C19 (1)
Stoich.:	A5B12C19 (1)
Weight, g/mol:	320.068473
ΔH_f, kcal/mol:	-106.3
Dipole, Da:	6.43
IP(EA), eV:	-8.64(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,7-trihydroxy-9-phenylxanthen-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O

DOS

IR

Vibrations