Geometry & MOs

Info

ID:	39980
PubChem CID:	8143340
Reduced:	FO2N6H11C18 (1)
Stoich.:	AB2C6D11E18 (1)
Weight, g/mol:	406.249452
ΔH_f, kcal/mol:	62.71
Dipole, Da:	7.78
IP(EA), eV:	-9.36(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5,5-dibenzyl-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C(=O)N=C(N3)CN4N=C(N=N4)C5=CC=C(C=C5)F

DOS

IR

Vibrations