Geometry & MOs

Info

ID:	10651
PubChem CID:	106062
Reduced:	N3H5O10C14 (1)
Stoich.:	A3B5C10D14 (1)
Weight, g/mol:	374.997493
ΔH_f, kcal/mol:	-69.89
Dipole, Da:	11.17
IP(EA), eV:	-10.24(-3.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations