Geometry & MOs

Info

ID:	2299
PubChem CID:	6684
Reduced:	NH3O4C7 (2)
Stoich.:	AB3C4D7 (2)
Weight, g/mol:	330.012415
ΔH_f, kcal/mol:	-72.69
Dipole, Da:	4.95
IP(EA), eV:	-9.76(-3.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-dioxidoazaniumylidene-10-hydroxy-4,5,9-trioxoanthracen-1-yl)-hydroxy-oxoazanium

Drug info:

PubChemData

Smile

C1=CC(=O)C2=C(C3=C(C(=[N+]([O-])[O-])C=CC3=O)C(=O)C2=C1[N+](=O)O)O

DOS

IR

Vibrations