Geometry & MOs

Info

ID:	123046
PubChem CID:	50831434
Reduced:	FON6C20H23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	464.161518
ΔH_f, kcal/mol:	-10.39
Dipole, Da:	4.88
IP(EA), eV:	-9.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CCN3CCN(CC3)C(=O)NC4=CC(=CC=C4)F)N=CC=C2

DOS

IR

Vibrations