Geometry & MOs

Info

ID:	125558
PubChem CID:	50928301
Reduced:	ON2H9C12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	394.142976
ΔH_f, kcal/mol:	87.74
Dipole, Da:	3.08
IP(EA), eV:	-8.97(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC(=C5)C

DOS

IR

Vibrations