Geometry & MOs

Info

ID:	206954
PubChem CID:	80324732
Reduced:	ClOSN2C12H21 (1)
Stoich.:	ABCD2E12F21 (1)
Weight, g/mol:	193.067369
ΔH_f, kcal/mol:	-43.48
Dipole, Da:	1.7
IP(EA), eV:	-9.15(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CNCCOCCCl

DOS

IR

Vibrations