Geometry & MOs

Info

ID:	23636
PubChem CID:	605294
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	-26.33
Dipole, Da:	3.27
IP(EA), eV:	-9.38(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-phenyl-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

CCN1C(=O)OC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations