Geometry & MOs

Info

ID:	125563
PubChem CID:	50928306
Reduced:	O3N4H18C24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	428.128469
ΔH_f, kcal/mol:	57.42
Dipole, Da:	3.23
IP(EA), eV:	-8.95(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations