Geometry & MOs

Info

ID:	41421
PubChem CID:	8145854
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	379.153693
ΔH_f, kcal/mol:	-75.94
Dipole, Da:	3.24
IP(EA), eV:	-8.75(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)C/C(=N/NC(=O)C2=CC=C(C=C2)OC)/C

DOS

IR

Vibrations