Geometry & MOs

Info

ID:	41393
PubChem CID:	8145800
Reduced:	N3O4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	399.158779
ΔH_f, kcal/mol:	-63.62
Dipole, Da:	10.04
IP(EA), eV:	-8.88(-0.84)
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-5-phenylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H]2CCCN2CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4)OC

DOS

IR

Vibrations