Geometry & MOs

Info

ID:	125564
PubChem CID:	50928323
Reduced:	FO3N4H17C24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	458.03784
ΔH_f, kcal/mol:	10.98
Dipole, Da:	1.36
IP(EA), eV:	-8.74(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C4=NC(=NO4)C5=CC=C(C=C5)F

DOS

IR

Vibrations