Geometry & MOs

Info

ID:	389970
PubChem CID:	134996307
Reduced:	FN3H4C7O7 (1)
Stoich.:	AB3C4D7E7 (1)
Weight, g/mol:	338.89287
ΔH_f, kcal/mol:	-60.65
Dipole, Da:	3.94
IP(EA), eV:	-11.37(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6R)-7,9-dibromo-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-trien-6-ol

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F)[N+](=O)[O-]

DOS

IR

Vibrations