Geometry & MOs

Info

ID:	20843
PubChem CID:	586086
Reduced:	O5C15H24 (1)
Stoich.:	A5B15C24 (1)
Weight, g/mol:	284.162374
ΔH_f, kcal/mol:	-253.67
Dipole, Da:	3.27
IP(EA), eV:	-10.19(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocycloheptane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1(CCCCCC1=O)C(=O)OCC

DOS

IR

Vibrations