Geometry & MOs

Info

ID:	23442
PubChem CID:	603542
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	52.22
Dipole, Da:	7.25
IP(EA), eV:	-10.48(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxotetracyclo[6.4.0.01,3.03,7]dodecane-2,2-dicarbonitrile

Drug info:

PubChemData

Smile

C1CCC23C(C1)C4C2(C3(C#N)C#N)C(=O)CC4

DOS

IR

Vibrations