Geometry & MOs

Info

ID:	359045
PubChem CID:	127297289
Reduced:	SN3O4C15H23 (1)
Stoich.:	AB3C4D15E23 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-150.43
Dipole, Da:	3.75
IP(EA), eV:	-9.08(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-piperidin-1-ylsulfonylpyridin-2-yl)-2-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(N=CC=C2)NCC3COCCO3

DOS

IR

Vibrations