Geometry & MOs

Info

ID:	150752
PubChem CID:	53790448
Reduced:	BrNO3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	166.05647
ΔH_f, kcal/mol:	-51.29
Dipole, Da:	3.39
IP(EA), eV:	-8.35(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-6-methylpyrazolo[5,1-b][1,3]thiazole

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1Br)C(=O)C(=CC2=CNC3=CC=CC=C32)C)OC

DOS

IR

Vibrations