Geometry & MOs

Info

ID:	68447
PubChem CID:	46508429
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	403.108754
ΔH_f, kcal/mol:	-35.78
Dipole, Da:	4.99
IP(EA), eV:	-9.71(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCOCCCNC(=O)C1=CC(=NC2=C1C(=NO2)C)C3=CC=CC=C3

DOS

IR

Vibrations