Geometry & MOs

Info

ID:	371397
PubChem CID:	127346246
Reduced:	ON3C8H11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-5.86
Dipole, Da:	8.36
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=NC=NN2C(=C1)N3CCN(CC3)C(=O)CC4CCOC4

DOS

IR

Vibrations