Geometry & MOs

Info

ID:	361678
PubChem CID:	127304393
Reduced:	O3N6C20H24 (1)
Stoich.:	A3B6C20D24 (1)
Weight, g/mol:	363.22704
ΔH_f, kcal/mol:	-35.4
Dipole, Da:	0.82
IP(EA), eV:	-9.22(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CN3C(=NC4=CC=CC=C4C3=O)C

DOS

IR

Vibrations