Geometry & MOs

Info

ID:	321463
PubChem CID:	126666089
Reduced:	BrNO2H18C20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	273.091355
ΔH_f, kcal/mol:	-11.41
Dipole, Da:	3.41
IP(EA), eV:	-8.42(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-fluorophenyl)methyl]-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C(=C(C=C2)CO)C3=CC(=CC=C3)N)Br

DOS

IR

Vibrations