Geometry & MOs

Info

ID:	57670
PubChem CID:	22432019
Reduced:	ClN3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	327.077454
ΔH_f, kcal/mol:	-53.35
Dipole, Da:	1.37
IP(EA), eV:	-9.91(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=NN=C(O1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations