Geometry & MOs

Info

ID:	295563
PubChem CID:	117534305
Reduced:	OSN2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	-32.01
Dipole, Da:	3.8
IP(EA), eV:	-9.04(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(methylamino)-5-(2-methylphenyl)-1,3-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(SC(=N1)N)C2CCCCC2

DOS

IR

Vibrations