Geometry & MOs

Info

ID:	175402
PubChem CID:	75898618
Reduced:	ON3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	308.270188
ΔH_f, kcal/mol:	-27.09
Dipole, Da:	3.38
IP(EA), eV:	-8.31(0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,6-dimethylpiperidin-1-yl)-2-(3-pyrrolidin-1-ium-1-ylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCCN(C2)CC(=O)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations