Geometry & MOs

Info

ID:	77790
PubChem CID:	49661507
Reduced:	FO3N4H17C21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	394.107733
ΔH_f, kcal/mol:	-1.98
Dipole, Da:	7.24
IP(EA), eV:	-8.76(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2=NOC(=N2)C3=NN(C=CC3=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations