Geometry & MOs

Info

ID:	63152
PubChem CID:	26744421
Reduced:	FO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	394.167928
ΔH_f, kcal/mol:	-26.92
Dipole, Da:	2.25
IP(EA), eV:	-9.37(-0.99)
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-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

C1CC1CN2C[C@@H](C[C@H]2C3=NC(=NO3)C4=CC=C(C=C4)F)O

DOS

IR

Vibrations