Geometry & MOs

Info

ID:	40031
PubChem CID:	8143450
Reduced:	SN4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	330.181767
ΔH_f, kcal/mol:	45.25
Dipole, Da:	4.29
IP(EA), eV:	-8.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1CN2C(=S)N(C(=N2)C3=CC=CC=C3C)C

DOS

IR

Vibrations