Geometry & MOs

Info

ID:	41437
PubChem CID:	8145882
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	419.184994
ΔH_f, kcal/mol:	-73.08
Dipole, Da:	8.34
IP(EA), eV:	-8.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N/N=C(\C)/CC(=O)NC2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations