Geometry & MOs

Info

ID:	41439
PubChem CID:	8145887
Reduced:	ClO3N4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	419.184994
ΔH_f, kcal/mol:	-110.44
Dipole, Da:	0.81
IP(EA), eV:	-8.63(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CN3CCN(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations