Geometry & MOs

Info

ID:	41429
PubChem CID:	8145867
Reduced:	ClO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	337.106743
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	3.55
IP(EA), eV:	-8.57(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=O)C(=O)N(C2=O)CN3CCN(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations