Geometry & MOs

Info

ID:	137968
PubChem CID:	52293286
Reduced:	FO2N6C20H27 (1)
Stoich.:	AB2C6D20E27 (1)
Weight, g/mol:	402.221523
ΔH_f, kcal/mol:	-70.74
Dipole, Da:	2.17
IP(EA), eV:	-10.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCN(CC1)C(=O)[C@H](CC2=CC(=CC=C2)F)N3C(=NN=N3)C

DOS

IR

Vibrations