Geometry & MOs

Info

ID:	41426
PubChem CID:	8145861
Reduced:	ClO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	-93.79
Dipole, Da:	2.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762583
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations