Geometry & MOs

Info

ID:	283860
PubChem CID:	104013910
Reduced:	ON4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	248.061949
ΔH_f, kcal/mol:	26.56
Dipole, Da:	5.22
IP(EA), eV:	-9.55(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyridin-2-yl)-5-methyl-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)(C1=NC(=NO1)C2=C(C=C(C=N2)C)C)N

DOS

IR

Vibrations