Geometry & MOs

Info

ID:	26909
PubChem CID:	804187
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	342.089209
ΔH_f, kcal/mol:	-177.44
Dipole, Da:	2.86
IP(EA), eV:	-8.8(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9-hydroxyxanthen-9-yl)indene-1,3-dione

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=C(C=C(C=C1)O)C(=O)O

DOS

IR

Vibrations