Geometry & MOs

Info

ID:	335893
PubChem CID:	127254755
Reduced:	O4N5C12H15 (1)
Stoich.:	A4B5C12D15 (1)
Weight, g/mol:	414.132805
ΔH_f, kcal/mol:	-77.85
Dipole, Da:	9.58
IP(EA), eV:	-8.57(-0.2)
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-(2-methoxypyridin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1)OCC(=O)NC2=NNC(=N2)COC

DOS

IR

Vibrations