Geometry & MOs

Info

ID:	41094
PubChem CID:	8145233
Reduced:	O3N4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	409.223966
ΔH_f, kcal/mol:	-44.91
Dipole, Da:	3.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759192
Charge, e:	1

Chem-info

IUPAC name:

(5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)[C@@](NC3=O)(C)C4=CC=CC=C4

DOS

IR

Vibrations