Geometry & MOs

Info

ID:	12553
PubChem CID:	140255
Reduced:	O3C10H14 (1)
Stoich.:	A3B10C14 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	-123.62
Dipole, Da:	3.85
IP(EA), eV:	-10.22(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-oxocyclooctene-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=O)CCCCC1

DOS

IR

Vibrations