Geometry & MOs

Info

ID:	41313
PubChem CID:	8145647
Reduced:	FO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	335.151944
ΔH_f, kcal/mol:	-92.86
Dipole, Da:	2.85
IP(EA), eV:	-8.75(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C(=O)C(=O)N(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations