Geometry & MOs

Info

ID:	374345
PubChem CID:	131327188
Reduced:	BrNSO2F3H5C7 (1)
Stoich.:	ABCD2E3F5G7 (1)
Weight, g/mol:	221.95411
ΔH_f, kcal/mol:	-193.62
Dipole, Da:	3.78
IP(EA), eV:	-9.41(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromopyrazolo[1,5-b]pyridazine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C(F)F)S(=O)(=O)N)Br)F

DOS

IR

Vibrations