Geometry & MOs

Info

ID:	125540
PubChem CID:	50928257
Reduced:	ON2H9C12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	424.153541
ΔH_f, kcal/mol:	88.95
Dipole, Da:	3.55
IP(EA), eV:	-8.98(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations