Geometry & MOs

Info

ID:	36535
PubChem CID:	8008079
Reduced:	ON3C27H29 (1)
Stoich.:	AB3C27D29 (1)
Weight, g/mol:	379.177016
ΔH_f, kcal/mol:	39.72
Dipole, Da:	2.44
IP(EA), eV:	-8.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R)-3-[(3S)-3-hydroxypiperidin-1-ium-1-yl]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC(=O)N2[C@@H](CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

DOS

IR

Vibrations