Geometry & MOs

Info

ID:	125560
PubChem CID:	50928303
Reduced:	FO2N4H15C23 (1)
Stoich.:	AB2C4D15E23 (1)
Weight, g/mol:	424.153541
ΔH_f, kcal/mol:	49.46
Dipole, Da:	2.42
IP(EA), eV:	-9.03(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=N2)C4=NC(=NO4)C5=CC=C(C=C5)F

DOS

IR

Vibrations