Geometry & MOs

Info

ID:	133750
PubChem CID:	51586014
Reduced:	ClON3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	322.13223
ΔH_f, kcal/mol:	8.02
Dipole, Da:	5.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.977269
Charge, e:	1

Chem-info

IUPAC name:

(3S)-1-(5-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2CC[NH+](CC2)CC3=CC=CC=C3)Cl

DOS

IR

Vibrations