Geometry & MOs

Info

ID:	77795
PubChem CID:	49661525
Reduced:	F2N4O5H16C21 (1)
Stoich.:	A2B4C5D16E21 (1)
Weight, g/mol:	364.072703
ΔH_f, kcal/mol:	-98.64
Dipole, Da:	6.95
IP(EA), eV:	-8.74(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)C3=NN(C=CC3=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations