Geometry & MOs

Info

ID:	40823
PubChem CID:	8144759
Reduced:	O2N3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	392.233802
ΔH_f, kcal/mol:	-30.02
Dipole, Da:	2.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757484
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations