Geometry & MOs

Info

ID:	77792
PubChem CID:	49661511
Reduced:	FN4O4H15C20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	368.047631
ΔH_f, kcal/mol:	-26.38
Dipole, Da:	7.2
IP(EA), eV:	-8.83(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations