Geometry & MOs

Info

ID:	248515
PubChem CID:	103082285
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	-90.29
Dipole, Da:	4.3
IP(EA), eV:	-9.38(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[3-(2-aminophenyl)-2H-1,2,4-oxadiazol-5-ylidene]-2-methylpyridin-4-one

Drug info:

PubChemData

Smile

COC1CCC(C1)NS(=O)(=O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations