Geometry & MOs

Info

ID:	125539
PubChem CID:	50928256
Reduced:	N4O4H20C25 (1)
Stoich.:	A4B4C20D25 (1)
Weight, g/mol:	394.142976
ΔH_f, kcal/mol:	25.19
Dipole, Da:	2.92
IP(EA), eV:	-8.46(-1.39)
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-phenylphthalazin-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=NOC(=N2)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)OC

DOS

IR

Vibrations