Geometry & MOs

Info

ID:	134126
PubChem CID:	51649926
Reduced:	ON3C12H24 (1)
Stoich.:	AB3C12D24 (1)
Weight, g/mol:	322.285838
ΔH_f, kcal/mol:	-38.99
Dipole, Da:	5.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753922
Charge, e:	1

Chem-info

IUPAC name:

1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)C2CCN(CC2)CC(=O)N

DOS

IR

Vibrations