Geometry & MOs

Info

ID:	139944
PubChem CID:	52620803
Reduced:	ON3C22H34 (1)
Stoich.:	AB3C22D34 (1)
Weight, g/mol:	355.262363
ΔH_f, kcal/mol:	-23.67
Dipole, Da:	2.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754234
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations