Geometry & MOs

Info

ID:	41428
PubChem CID:	8145866
Reduced:	ClO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	390.145868
ΔH_f, kcal/mol:	-90.86
Dipole, Da:	4.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761880
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations