Geometry & MOs

Info

ID:	77791
PubChem CID:	49661510
Reduced:	FN4O4H15C20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	394.107733
ΔH_f, kcal/mol:	-20.51
Dipole, Da:	4.24
IP(EA), eV:	-8.42(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-fluorophenyl)pyridazin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=NN(C=CC3=O)C4=CC(=CC=C4)F)OC

DOS

IR

Vibrations