Geometry & MOs

Info

ID:	359837
PubChem CID:	127299881
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	4.7
Dipole, Da:	3.46
IP(EA), eV:	-8.63(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)C1N2CCN(CC2)C3=NC4=CC=CC=C4O3)C5=CC=CC=C5

DOS

IR

Vibrations