Geometry & MOs

Info

ID:	125541
PubChem CID:	50928270
Reduced:	O3N4H20C25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	426.115047
ΔH_f, kcal/mol:	47.87
Dipole, Da:	2.49
IP(EA), eV:	-8.85(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NOC(=N2)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)C

DOS

IR

Vibrations