Geometry & MOs

Info

ID:	125544
PubChem CID:	50928287
Reduced:	O3N4H18C24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	474.03275
ΔH_f, kcal/mol:	56.93
Dipole, Da:	3.14
IP(EA), eV:	-8.56(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations