Geometry & MOs

Info

ID:	401753
PubChem CID:	135052441
Reduced:	SN3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	250.090175
ΔH_f, kcal/mol:	-3.61
Dipole, Da:	1.26
IP(EA), eV:	-8.6(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]phenol

Drug info:

PubChemData

Smile

CCN(CC)C/C=C/1\CN=C(S1)NC2CCCCC2

DOS

IR

Vibrations