Geometry & MOs

Info

ID:	125556
PubChem CID:	50928299
Reduced:	O2N4H16C23 (1)
Stoich.:	A2B4C16D23 (1)
Weight, g/mol:	394.142976
ΔH_f, kcal/mol:	96.65
Dipole, Da:	2.27
IP(EA), eV:	-9.09(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-4-[3-(2-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=C5

DOS

IR

Vibrations