Geometry & MOs

Info

ID:	134146
PubChem CID:	51652573
Reduced:	ClN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	392.233802
ΔH_f, kcal/mol:	-138.26
Dipole, Da:	2.52
IP(EA), eV:	-9.05(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3S)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)NC3=C(C=CC(=C3)Cl)C

DOS

IR

Vibrations