Geometry & MOs

Info

ID:	295266
PubChem CID:	117523925
Reduced:	BrClON3H9C13 (1)
Stoich.:	ABCD3E9F13 (1)
Weight, g/mol:	317.01637
ΔH_f, kcal/mol:	45.03
Dipole, Da:	2.41
IP(EA), eV:	-8.94(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7-[(2-methylphenoxy)methyl]imidazo[1,5-b]pyridazine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC2=NC(=C3N2C=NC=C3)Br)Cl

DOS

IR

Vibrations