Geometry & MOs

Info

ID:	63134
PubChem CID:	26744363
Reduced:	NOC3H3 (4)
Stoich.:	ABC3D3 (4)
Weight, g/mol:	420.172345
ΔH_f, kcal/mol:	1.78
Dipole, Da:	4.05
IP(EA), eV:	-10.09(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methoxynaphthalen-1-yl)methyl]pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1C2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])O

DOS

IR

Vibrations