Geometry & MOs

Info

ID:	373152
PubChem CID:	131310763
Reduced:	BrIOF3H5C8 (1)
Stoich.:	ABCD3E5F8 (1)
Weight, g/mol:	248.034352
ΔH_f, kcal/mol:	-161.4
Dipole, Da:	3.17
IP(EA), eV:	-10.05(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C(F)(F)F)I)CO)Br

DOS

IR

Vibrations