Geometry & MOs

Info

ID:	130746
PubChem CID:	51099052
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	321.124405
ΔH_f, kcal/mol:	-16.09
Dipole, Da:	6.41
IP(EA), eV:	-8.84(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-chlorobenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations