Geometry & MOs

Info

ID:	387769
PubChem CID:	134986844
Reduced:	OSCl2C7H10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-51.06
Dipole, Da:	3.05
IP(EA), eV:	-9.47(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-cyano-5-oxocyclononane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCS/C(=C\C(=O)Cl)/Cl

DOS

IR

Vibrations