Geometry & MOs

Info

ID:	5857
PubChem CID:	13915
Reduced:	NH2C3 (4)
Stoich.:	AB2C3 (4)
Weight, g/mol:	208.074896
ΔH_f, kcal/mol:	150.72
Dipole, Da:	6.59
IP(EA), eV:	-11.17(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile

Drug info:

PubChemData

Smile

C1CC2C=CC1C(C2(C#N)C#N)(C#N)C#N

DOS

IR

Vibrations