Geometry & MOs

Info

ID:	408485
PubChem CID:	135081251
Reduced:	ClN2O3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	317.069295
ΔH_f, kcal/mol:	-12.52
Dipole, Da:	8.35
IP(EA), eV:	-9.24(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenyl-2H-oxadiazol-3-ium-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[N+]2=NOC(=C2CC(C3=CC=C(C=C3)Cl)O)[O-]

DOS

IR

Vibrations