Geometry & MOs

Info

ID:	68642
PubChem CID:	46508821
Reduced:	NO3C14H18 (2)
Stoich.:	AB3C14D18 (2)
Weight, g/mol:	439.177503
ΔH_f, kcal/mol:	-204.13
Dipole, Da:	5.81
IP(EA), eV:	-8.38(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-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)CN1CC(=O)NCC5=CC(=C(C=C5OC)OC)OC)OCCO3

DOS

IR

Vibrations