Geometry & MOs

Info

ID:	151909
PubChem CID:	56310734
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	444.111981
ΔH_f, kcal/mol:	-139.09
Dipole, Da:	1.55
IP(EA), eV:	-8.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations