Geometry & MOs

Info

ID:	334051
PubChem CID:	127252603
Reduced:	ClN3O7H24C26 (1)
Stoich.:	AB3C7D24E26 (1)
Weight, g/mol:	373.117489
ΔH_f, kcal/mol:	-75.52
Dipole, Da:	7.12
IP(EA), eV:	-8.88(-0.87)
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-pyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC4=NC(=NO4)C5=CC=CC=C5OC

DOS

IR

Vibrations