Geometry & MOs

Info

ID:	57664
PubChem CID:	22431816
Reduced:	ClN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	317.056719
ΔH_f, kcal/mol:	-70.2
Dipole, Da:	3.55
IP(EA), eV:	-8.44(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)C2=NN=C(O2)CC3=CC(=CC=C3)Cl)OC

DOS

IR

Vibrations