Geometry & MOs

Info

ID:	41134
PubChem CID:	8145333
Reduced:	N4O4C23H27 (1)
Stoich.:	A4B4C23D27 (1)
Weight, g/mol:	361.18758
ΔH_f, kcal/mol:	-77.54
Dipole, Da:	12.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771717
Charge, e:	1

Chem-info

IUPAC name:

1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-ethylimidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)C(=O)N(C3=O)CC4=CC=CC=C4

DOS

IR

Vibrations