Geometry & MOs

Info

ID:	21658
PubChem CID:	589436
Reduced:	O2N3H9C10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	203.069477
ΔH_f, kcal/mol:	-1.73
Dipole, Da:	5.13
IP(EA), eV:	-11.51(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-6-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile

Drug info:

PubChemData

Smile

CCC1(C2(C1(C(=O)NC2=O)C#N)C#N)C

DOS

IR

Vibrations