Geometry & MOs

Info

ID:	165663
PubChem CID:	74581452
Reduced:	ON5C25H41 (1)
Stoich.:	AB5C25D41 (1)
Weight, g/mol:	316.159592
ΔH_f, kcal/mol:	58.31
Dipole, Da:	16.96
IP(EA), eV:	-6.06(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[1-[1-(thiolan-3-yl)piperidin-1-ium-4-yl]triazol-4-yl]pyridine

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CCN(CC2CCC[NH+](C2)C3CCCC3)CC4=CC5=NON=C5C=C4

DOS

IR

Vibrations