Geometry & MOs

Info

ID:	41045
PubChem CID:	8145167
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	361.223966
ΔH_f, kcal/mol:	-107.45
Dipole, Da:	2.63
IP(EA), eV:	-7.93(0.17)
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-propylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations