Geometry & MOs

Info

ID:	193848
PubChem CID:	78447862
Reduced:	N2O3C5H6 (2)
Stoich.:	A2B3C5D6 (2)
Weight, g/mol:	417.05757
ΔH_f, kcal/mol:	-80.75
Dipole, Da:	5.78
IP(EA), eV:	-10.53(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione

Drug info:

PubChemData

Smile

CC(C)C(C(=O)[O-])NC1=C(C=C(C=[NH+]1)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations