Geometry & MOs

Info

ID:	139945
PubChem CID:	52620804
Reduced:	ON3C22H33 (1)
Stoich.:	AB3C22D33 (1)
Weight, g/mol:	356.270188
ΔH_f, kcal/mol:	-45.31
Dipole, Da:	3.72
IP(EA), eV:	-8.36(0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-(1H-indol-3-yl)butanamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)CCCNC(=O)CCCC2=CNC3=CC=CC=C32)C

DOS

IR

Vibrations