Geometry & MOs

Info

ID:	166928
PubChem CID:	74756804
Reduced:	NO7C26H27 (1)
Stoich.:	AB7C26D27 (1)
Weight, g/mol:	268.148359
ΔH_f, kcal/mol:	-204.07
Dipole, Da:	4.66
IP(EA), eV:	-8.52(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)C=CC(=O)N3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations