Geometry & MOs

Info

ID:	184345
PubChem CID:	77148813
Reduced:	N2O6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	317.121592
ΔH_f, kcal/mol:	-145.68
Dipole, Da:	5.71
IP(EA), eV:	-9.47(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1'-fluoro-3'-oxospiro[1,3-dihydroindene-2,4'-cyclohexene]-5-yl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])NC(=C2)C3C(C(C(O3)CO)O)O

DOS

IR

Vibrations