Geometry & MOs

Info

ID:	16880
PubChem CID:	478344
Reduced:	N2O6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	398.147786
ΔH_f, kcal/mol:	-93.69
Dipole, Da:	9.92
IP(EA), eV:	-9.52(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1',1'-tetramethyl-4,6'-dinitro-3,3'-spirobi[2H-indene]-5,5'-diol

Drug info:

PubChemData

Smile

CC1(CC2(CC(C3=CC(=C(C=C32)O)[N+](=O)[O-])(C)C)C4=C1C=CC(=C4[N+](=O)[O-])O)C

DOS

IR

Vibrations