Geometry & MOs

Info

ID:	388079
PubChem CID:	134988085
Reduced:	Na2O4C7H10 (1)
Stoich.:	A2B4C7D10 (1)
Weight, g/mol:	108.057515
ΔH_f, kcal/mol:	-249.24
Dipole, Da:	0.07
IP(EA), eV:	-7.04(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bicyclo[3.1.1]hept-2-en-6-one

Drug info:

PubChemData

Smile

CCOC(=C=C([O-])OCC)[O-].[Na+].[Na+]

DOS

IR

Vibrations