Geometry & MOs

Info

ID:	77788
PubChem CID:	49661503
Reduced:	SF3O3N4H13C20 (1)
Stoich.:	AB3C3D4E13F20 (1)
Weight, g/mol:	364.097168
ΔH_f, kcal/mol:	-102.63
Dipole, Da:	10.23
IP(EA), eV:	-9.08(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)N2C=CC(=O)C(=N2)C3=NC(=NO3)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations