Geometry & MOs

Info

ID:	387666
PubChem CID:	134986365
Reduced:	SBr2H2O2C7 (1)
Stoich.:	AB2C2D2E7 (1)
Weight, g/mol:	182.105528
ΔH_f, kcal/mol:	-13.73
Dipole, Da:	4.69
IP(EA), eV:	-10.22(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,4,5-trimethyl-1H-pyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1=C2C(=CS1)C(=O)C(C2=O)(Br)Br

DOS

IR

Vibrations