Geometry & MOs

Info

ID:	42581
PubChem CID:	8149735
Reduced:	SO2N4C16H26 (1)
Stoich.:	AB2C4D16E26 (1)
Weight, g/mol:	336.161997
ΔH_f, kcal/mol:	1.44
Dipole, Da:	19.14
IP(EA), eV:	-5.29(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-1-azabicyclo[2.2.2]octan-3-amine

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N[C@@H]3C[NH+]4CCC3CC4

DOS

IR

Vibrations