Geometry & MOs

Info

ID:	412325
PubChem CID:	135085215
Reduced:	FeN2H48C49 (1)
Stoich.:	AB2C48D49 (1)
Weight, g/mol:	295.116149
ΔH_f, kcal/mol:	346.07
Dipole, Da:	7.27
IP(EA), eV:	-7.72(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,6-di(propan-2-yl)phenyl]-4-methyl-1,3-thiazol-3-ium;chloride

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CC.CN(C)C1=C2[CH-]C=CC2=NC=C1.C1=CC=C(C=C1)[C-]2C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[Fe+4]

DOS

IR

Vibrations