Geometry & MOs

Info

ID:	55972
PubChem CID:	17398001
Reduced:	ClN5C16H18 (1)
Stoich.:	AB5C16D18 (1)
Weight, g/mol:	322.017891
ΔH_f, kcal/mol:	80.06
Dipole, Da:	4.25
IP(EA), eV:	-8.55(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-chlorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

CC1=NN2C3=CC=CC=C3C(=NC2=C1Cl)N4CCN(CC4)C

DOS

IR

Vibrations