Geometry & MOs

Info

ID:	41098
PubChem CID:	8145238
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	423.239616
ΔH_f, kcal/mol:	-75.61
Dipole, Da:	3.58
IP(EA), eV:	-8.34(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)CN2CCN(CC2)C3=CC=CC=C3OCC)C4=CC=CC=C4

DOS

IR

Vibrations