Geometry & MOs

Info

ID:	178624
PubChem CID:	76357960
Reduced:	FO3N6H17C20 (1)
Stoich.:	AB3C6D17E20 (1)
Weight, g/mol:	427.128054
ΔH_f, kcal/mol:	11.18
Dipole, Da:	9.63
IP(EA), eV:	-9.11(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-[3-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]-3-phenylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=CC(=C(C=C2)F)NC(=O)C=CC3=CC(=C(C=C3)OCC#N)OC

DOS

IR

Vibrations