Geometry & MOs

Info

ID:	125557
PubChem CID:	50928300
Reduced:	ON2H9C12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	394.142976
ΔH_f, kcal/mol:	87.92
Dipole, Da:	2.64
IP(EA), eV:	-9.12(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-4-[3-(3-methylphenyl)-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=C5C

DOS

IR

Vibrations