Geometry & MOs

Info

ID:	125554
PubChem CID:	50928297
Reduced:	ClO3N4H15C23 (1)
Stoich.:	AB3C4D15E23 (1)
Weight, g/mol:	424.153541
ΔH_f, kcal/mol:	55.71
Dipole, Da:	3.61
IP(EA), eV:	-9.02(-1.52)
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-(3-methoxyphenyl)phthalazin-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C4=NC(=NO4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations