Geometry & MOs

Info

ID:	125548
PubChem CID:	50928291
Reduced:	O3N4H20C25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	424.153541
ΔH_f, kcal/mol:	51.76
Dipole, Da:	2.77
IP(EA), eV:	-8.7(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)OC

DOS

IR

Vibrations