Geometry & MOs

Info

ID:	77789
PubChem CID:	49661505
Reduced:	FO3N4H13C19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	392.128469
ΔH_f, kcal/mol:	20.58
Dipole, Da:	4.76
IP(EA), eV:	-8.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NOC(=N2)C3=NN(C=CC3=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations