Geometry & MOs

Info

ID:	334127
PubChem CID:	127252679
Reduced:	N4O5H18C26 (1)
Stoich.:	A4B5C18D26 (1)
Weight, g/mol:	474.153934
ΔH_f, kcal/mol:	0.4
Dipole, Da:	1.04
IP(EA), eV:	-8.36(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methoxypyridin-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC5=NC(=NO5)C6=CC=CC=N6)OC

DOS

IR

Vibrations