Geometry & MOs

Info

ID:	68460
PubChem CID:	46508453
Reduced:	ClON2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	9.36
Dipole, Da:	4.59
IP(EA), eV:	-9.88(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-butylphenyl)-2-methylpropyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)CCC2=NC(=NO2)C3=CC=NC=C3

DOS

IR

Vibrations