Geometry & MOs

Info

ID:	375305
PubChem CID:	131499887
Reduced:	BrClHINSF3O3C6 (1)
Stoich.:	ABCDEFG3H3I6 (1)
Weight, g/mol:	214.050905
ΔH_f, kcal/mol:	-232.35
Dipole, Da:	5.06
IP(EA), eV:	-10.6(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-chloropyridazin-3-yl)-2-methylpropanoate

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)Br)I)OC(F)(F)F)S(=O)(=O)Cl

DOS

IR

Vibrations