Geometry & MOs

Info

ID:	137650
PubChem CID:	52240242
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	330.164009
ΔH_f, kcal/mol:	-46.46
Dipole, Da:	5.02
IP(EA), eV:	-8.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CC(=CC=C1)OCC2=CN=CC=C2

DOS

IR

Vibrations