Geometry & MOs

Info

ID:	335744
PubChem CID:	127254606
Reduced:	O3N6C21H26 (1)
Stoich.:	A3B6C21D26 (1)
Weight, g/mol:	485.158685
ΔH_f, kcal/mol:	-9.37
Dipole, Da:	8.64
IP(EA), eV:	-8.31(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NN2C(=NN=C2CCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C=C1

DOS

IR

Vibrations