Geometry & MOs

Info

ID:	6103
PubChem CID:	67009
Reduced:	N3H5O8C13 (2)
Stoich.:	A3B5C8D13 (2)
Weight, g/mol:	662.015328
ΔH_f, kcal/mol:	-19.35
Dipole, Da:	3.44
IP(EA), eV:	-10.89(-2.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-bis(2,4-dinitrophenoxy)-4,8-dinitroanthracene-9,10-dione

Drug info:

Smile

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC2=C3C(=C(C=C2)[N+](=O)[O-])C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])OC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations