Geometry & MOs

Info

ID:	336111
PubChem CID:	127255118
Reduced:	N2O5H30C36 (1)
Stoich.:	A2B5C30D36 (1)
Weight, g/mol:	434.13789
ΔH_f, kcal/mol:	-51.88
Dipole, Da:	2.79
IP(EA), eV:	-8.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-quinolin-8-ylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2[C@@H](N3C=CC4=CC=CC=C4C3[C@@]2(C#N)C(=O)OC)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations