Geometry & MOs

Info

ID:	19514
PubChem CID:	566648
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-167.01
Dipole, Da:	4.62
IP(EA), eV:	-9.87(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-oxocyclohexyl)butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCC1CCCCC1=O

DOS

IR

Vibrations