Geometry & MOs

Info

ID:	77772
PubChem CID:	49661379
Reduced:	FO2S2N5C24H24 (1)
Stoich.:	AB2C2D5E24F24 (1)
Weight, g/mol:	330.111676
ΔH_f, kcal/mol:	0.18
Dipole, Da:	10.28
IP(EA), eV:	-8.15(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSC2=NN=C3N2C=CC=C3S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations