Geometry & MOs

Info

ID:	63148
PubChem CID:	26744413
Reduced:	FO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	385.131208
ΔH_f, kcal/mol:	-71.66
Dipole, Da:	3.72
IP(EA), eV:	-8.87(-0.97)
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-[(2-nitrophenyl)methyl]pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)CN2C[C@@H](C[C@H]2C3=NC(=NO3)C4=CC=C(C=C4)F)O

DOS

IR

Vibrations