Geometry & MOs

Info

ID:	11621
PubChem CID:	118225
Reduced:	O2C6H11 (2)
Stoich.:	A2B6C11 (2)
Weight, g/mol:	230.151809
ΔH_f, kcal/mol:	-223.92
Dipole, Da:	1.98
IP(EA), eV:	-10.81(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-acetyloxyoctanoate

Drug info:

PubChemData

Smile

CCCC(CCCC(=O)OCC)OC(=O)C

DOS

IR

Vibrations