Geometry & MOs

Info

ID:	125555
PubChem CID:	50928298
Reduced:	O3N4H20C25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	380.127326
ΔH_f, kcal/mol:	47.27
Dipole, Da:	5.45
IP(EA), eV:	-8.83(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations