Geometry & MOs

Info

ID:	63141
PubChem CID:	26744390
Reduced:	FO2N4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	341.141379
ΔH_f, kcal/mol:	-39.68
Dipole, Da:	12.02
IP(EA), eV:	-7.22(-0.4)
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-(pyridin-2-ylmethyl)pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

C[NH+]1CCC(CC1)[NH+]2C[C@@H](C[C@H]2C3=NC(=NO3)C4=CC=C(C=C4)F)O

DOS

IR

Vibrations