Geometry & MOs

Info

ID:	149244
PubChem CID:	53788916
Reduced:	ClO4C6H9 (1)
Stoich.:	AB4C6D9 (1)
Weight, g/mol:	489.362708
ΔH_f, kcal/mol:	-167.14
Dipole, Da:	5.16
IP(EA), eV:	-11.05(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[[5-(2-hexadecoxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C(=O)OCl

DOS

IR

Vibrations