Geometry & MOs

Info

ID:	125553
PubChem CID:	50928296
Reduced:	O3N4H18C24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	430.083268
ΔH_f, kcal/mol:	56.25
Dipole, Da:	4.96
IP(EA), eV:	-8.85(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)C3=NN(C(=O)C4=CC=CC=C43)C5=CC(=CC=C5)OC

DOS

IR

Vibrations