Geometry & MOs

Info

ID:	41096
PubChem CID:	8145236
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	423.239616
ΔH_f, kcal/mol:	-70.39
Dipole, Da:	2.32
IP(EA), eV:	-8.56(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=O)[C@](NC3=O)(C)C4=CC=CC=C4

DOS

IR

Vibrations