Geometry & MOs

Info

ID:	140118
PubChem CID:	52651007
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	282.254538
ΔH_f, kcal/mol:	-77.98
Dipole, Da:	5.47
IP(EA), eV:	-8.46(0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-4-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(C[C@@H]1COC2=CC=CC=C2O1)C(=O)NCC3(CCC3)C4=CC=CC=C4

DOS

IR

Vibrations