Geometry & MOs

Info

ID:	809
PubChem CID:	3383
Reduced:	O5H12C20 (1)
Stoich.:	A5B12C20 (1)
Weight, g/mol:	332.068473
ΔH_f, kcal/mol:	-107.32
Dipole, Da:	11.63
IP(EA), eV:	-9.18(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

DOS

IR

Vibrations