Geometry & MOs

Info

ID:	68650
PubChem CID:	46508835
Reduced:	ClN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	459.12288
ΔH_f, kcal/mol:	-65.97
Dipole, Da:	4.51
IP(EA), eV:	-8.54(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dichlorophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1C2=CC3=C(C=C2C4(CCCC4)CN1CC5=CC(=O)N6C=C(C=CC6=N5)Cl)OCCO3

DOS

IR

Vibrations