Geometry & MOs

Info

ID:	49980
PubChem CID:	11538575
Reduced:	ON3C26H29 (1)
Stoich.:	AB3C26D29 (1)
Weight, g/mol:	399.109817
ΔH_f, kcal/mol:	33.67
Dipole, Da:	3.85
IP(EA), eV:	-9.27(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chloroanilino)-N-(4-morpholin-4-ylphenyl)-1,3,4-oxadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CN([C@@H]1CCN(C1)CC2=CN=CC=C2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations