Geometry & MOs

Info

ID:	41427
PubChem CID:	8145862
Reduced:	ClO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	391.153693
ΔH_f, kcal/mol:	-96.58
Dipole, Da:	4.45
IP(EA), eV:	-8.65(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=O)N(C1=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations