Geometry & MOs

Info

ID:

335469

PubChem CID:

127254331

Reduced:

ClNO2H12C17 (2)

Stoich.:

ABC2D12E17 (2)

Weight, g/mol:

417.143704

ΔHf, kcal/mol:

-53.2

Dipole, Da:

2.98

IP(EA), eV:

 -8.67(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)[C@@H]3[C@H]4[C@@H](C5N3C=CC6=CC=CC=C56)C(=O)N(C4=O)C7=CC(=CC(=C7)Cl)Cl

DOS

IR

Vibrations