Geometry & MOs

Info

ID:	125562
PubChem CID:	50928305
Reduced:	O3N4H18C24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	410.13789
ΔH_f, kcal/mol:	59.94
Dipole, Da:	4.03
IP(EA), eV:	-8.9(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-methoxyphenyl)-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=CC=C5OC

DOS

IR

Vibrations