Geometry & MOs

Info

ID:	336348
PubChem CID:	127255355
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	485.195071
ΔH_f, kcal/mol:	3.01
Dipole, Da:	7.46
IP(EA), eV:	-9.07(-1.04)
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-(4-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2=CC=NC3=NC(=NN23)C4CCC4)OC)OC

DOS

IR

Vibrations