Geometry & MOs

Info

ID:	200323
PubChem CID:	79376444
Reduced:	OSN3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	-29.24
Dipole, Da:	4.44
IP(EA), eV:	-8.6(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-5-(4-methylanilino)-1,2-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CCN1CCCC1CNC2=C(C(=NS2)C)C(=O)C

DOS

IR

Vibrations