Geometry & MOs

Info

ID:	77793
PubChem CID:	49661515
Reduced:	ClFO2N4H10C18 (1)
Stoich.:	ABC2D4E10F18 (1)
Weight, g/mol:	411.99712
ΔH_f, kcal/mol:	48.23
Dipole, Da:	5.51
IP(EA), eV:	-9.54(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations