Geometry & MOs

Info

ID:	339510
PubChem CID:	127261443
Reduced:	NOBr2H5C7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	234.064057
ΔH_f, kcal/mol:	6.28
Dipole, Da:	3.54
IP(EA), eV:	-9.86(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxobutyl furo[2,3-c]pyridazine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)O[C@@H]([C@H]2Br)Br

DOS

IR

Vibrations