Geometry & MOs

Info

ID:	133413
PubChem CID:	51523588
Reduced:	ON3C19H36 (1)
Stoich.:	AB3C19D36 (1)
Weight, g/mol:	298.285838
ΔH_f, kcal/mol:	-49.82
Dipole, Da:	4.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754214
Charge, e:	1

Chem-info

IUPAC name:

3-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]propyl-diethylazanium

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C(=O)CN2CCC(CC2)[NH+]3CCCCC3)C

DOS

IR

Vibrations