Geometry & MOs

Info

ID:	175931
PubChem CID:	75969407
Reduced:	SBr2F3O4H13C22 (1)
Stoich.:	AB2C3D4E13F22 (1)
Weight, g/mol:	126.042927
ΔH_f, kcal/mol:	-217.44
Dipole, Da:	1.46
IP(EA), eV:	-10.1(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-3H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=C(C(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)Br)OC(F)(F)F

DOS

IR

Vibrations