Geometry & MOs

Info

ID:	336128
PubChem CID:	127255135
Reduced:	O3N5H17C22 (1)
Stoich.:	A3B5C17D22 (1)
Weight, g/mol:	373.117489
ΔH_f, kcal/mol:	9.13
Dipole, Da:	6.2
IP(EA), eV:	-8.57(-1.45)
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-(1H-imidazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3C4=CNNC4=NC5=C3C(=O)OC6=CC=CC=C65)N(C1=O)C

DOS

IR

Vibrations