Geometry & MOs

Info

ID:	63069
PubChem CID:	26744186
Reduced:	O3N4H24C25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	406.187915
ΔH_f, kcal/mol:	20.75
Dipole, Da:	4.61
IP(EA), eV:	-9.05(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)[C@@H]3C[C@H](CN3CC4=CC=C(C=C4)C5=CC=CC=N5)O

DOS

IR

Vibrations