Geometry & MOs

Info

ID:	40848
PubChem CID:	8144831
Reduced:	SN4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	420.265102
ΔH_f, kcal/mol:	73.72
Dipole, Da:	4.66
IP(EA), eV:	-8.32(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S)-3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCC(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations