Geometry & MOs

Info

ID:	381097
PubChem CID:	134971739
Reduced:	NO2H13C17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	730.11492
ΔH_f, kcal/mol:	-15.44
Dipole, Da:	4.52
IP(EA), eV:	-8.26(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1,1-diacetyloxy-3-oxo-1lambda5,2-benziodoxol-1-yl)-[(5-hydroxy-2-oxo-3,3a,4,5-tetrahydrocyclopenta[c]acridin-1-yl)methyl]-(oxan-2-yl)oxidanium

Drug info:

PubChemData

Smile

C=C1C(=O)CC2C1=C3C(=CC4=CC=CC=C4N3)C(=O)C2

DOS

IR

Vibrations