Geometry & MOs

Info

ID:	359818
PubChem CID:	127299862
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	6.85
Dipole, Da:	3.17
IP(EA), eV:	-9.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(benzenesulfonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C(=CC=N4)C5=CC=NC=C5

DOS

IR

Vibrations