Geometry & MOs

Info

ID:	165068
PubChem CID:	74493106
Reduced:	N4O4C20H31 (1)
Stoich.:	A4B4C20D31 (1)
Weight, g/mol:	402.165151
ΔH_f, kcal/mol:	-122.84
Dipole, Da:	1.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753900
Charge, e:	1

Chem-info

IUPAC name:

5-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(CO)[NH+]1CCC2(CC1)C(=O)N(C(=O)N2CCCOC)CC3=CC=CC=N3

DOS

IR

Vibrations