Geometry & MOs

Info

ID:	122731
PubChem CID:	50819370
Reduced:	ClN4O4C23H27 (1)
Stoich.:	AB4C4D23E27 (1)
Weight, g/mol:	408.158626
ΔH_f, kcal/mol:	-113.67
Dipole, Da:	2.42
IP(EA), eV:	-8.68(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=NCCN2CCOCC2)NC(=O)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations