Geometry & MOs

Info

ID:	163305
PubChem CID:	57719832
Reduced:	N2O6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	389.137556
ΔH_f, kcal/mol:	-206.32
Dipole, Da:	3.41
IP(EA), eV:	-8.87(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)-5-hydroxyxanthen-3-yl]-2H-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CC(C(=O)O)OC(C)C)NC(=O)OCC2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations