Geometry & MOs

Info

ID:	336176
PubChem CID:	127255183
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	461.169919
ΔH_f, kcal/mol:	-57.83
Dipole, Da:	5.03
IP(EA), eV:	-8.1(-0.52)
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-imidazol-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5CCCCC5

DOS

IR

Vibrations