Geometry & MOs

Info

ID:	41391
PubChem CID:	8145790
Reduced:	ClO2N4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	413.174429
ΔH_f, kcal/mol:	-45.21
Dipole, Da:	4.66
IP(EA), eV:	-8.44(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S)-3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CN3CCN(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations