Geometry & MOs

Info

ID:	125546
PubChem CID:	50928289
Reduced:	ClO3N4H15C23 (1)
Stoich.:	AB3C4D15E23 (1)
Weight, g/mol:	474.03275
ΔH_f, kcal/mol:	57.92
Dipole, Da:	3.19
IP(EA), eV:	-8.65(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)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)Cl

DOS

IR

Vibrations