Geometry & MOs

Info

ID:	125550
PubChem CID:	50928293
Reduced:	F3O3N4H15C24 (1)
Stoich.:	A3B3C4D15E24 (1)
Weight, g/mol:	442.109962
ΔH_f, kcal/mol:	-96.18
Dipole, Da:	2.94
IP(EA), eV:	-8.92(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C4=NC(=NO4)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations