Geometry & MOs

Info

ID:	40800
PubChem CID:	8144717
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	330.218152
ΔH_f, kcal/mol:	-85.08
Dipole, Da:	2.03
IP(EA), eV:	-9.02(0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@H]1C(=O)N(C(=O)N1)CN2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations