Geometry & MOs

Info

ID:	335487
PubChem CID:	127254349
Reduced:	O3N4H14C19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	415.16444
ΔH_f, kcal/mol:	-43.76
Dipole, Da:	6.29
IP(EA), eV:	-8.36(-1.12)
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-(3-imidazol-1-ylpropyl)acetamide

Drug info:

PubChemData

Smile

CN1C=NC2=C(C1=O)C=C(C=C2)NC(=O)C3=CNC4=CC=CC=C4C3=O

DOS

IR

Vibrations