Geometry & MOs

Info

ID:	448412
PubChem CID:	135290714
Reduced:	ION3C10H16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	411.08076
ΔH_f, kcal/mol:	6.12
Dipole, Da:	3.1
IP(EA), eV:	-9.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-ethynylpyridin-2-yl)-8-methyl-8-(oxetan-3-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;iodide

Drug info:

PubChemData

Smile

CCC(C(C1=CC=CC=C1I)(NN)O)N

DOS

IR

Vibrations