Geometry & MOs

Info

ID:	336298
PubChem CID:	127255305
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	-16.42
Dipole, Da:	5.52
IP(EA), eV:	-8.33(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C3=C(NN=C3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations