Geometry & MOs

Info

ID:	38550
PubChem CID:	8137041
Reduced:	N3O5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	329.081184
ΔH_f, kcal/mol:	-131.76
Dipole, Da:	6.41
IP(EA), eV:	-9.39(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-oxidopyridin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NCC(=O)NC4CC4

DOS

IR

Vibrations