Geometry & MOs

Info

ID:	387702
PubChem CID:	134986492
Reduced:	ClSO3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-165.54
Dipole, Da:	2.61
IP(EA), eV:	-8.95(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-cyano-5-oxocyclononane-1-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)C(CCOC(=O)C)(SCC)Cl

DOS

IR

Vibrations