Geometry & MOs

Info

ID:	372391
PubChem CID:	131296855
Reduced:	BrFNO2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	229.96909
ΔH_f, kcal/mol:	-101.63
Dipole, Da:	4.64
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-6-methylpyridazine-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CC2=CC(=C(C=C2N1)Br)F

DOS

IR

Vibrations