Geometry & MOs

Info

ID:	41046
PubChem CID:	8145168
Reduced:	O3N4C19H29 (1)
Stoich.:	A3B4C19D29 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-85.01
Dipole, Da:	0.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775007
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@H]1C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC=C3OCC

DOS

IR

Vibrations