Geometry & MOs

Info

ID:	61456
PubChem CID:	26709589
Reduced:	OSN3C24H27 (1)
Stoich.:	ABC3D24E27 (1)
Weight, g/mol:	420.210959
ΔH_f, kcal/mol:	21.41
Dipole, Da:	3.53
IP(EA), eV:	-8.79(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)CC3=CSC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations