Geometry & MOs

Info

ID:	8680
PubChem CID:	80167
Reduced:	O2C6H11 (2)
Stoich.:	A2B6C11 (2)
Weight, g/mol:	230.151809
ΔH_f, kcal/mol:	-217.44
Dipole, Da:	2.8
IP(EA), eV:	-10.95(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-pentylpropanedioate

Drug info:

PubChemData

Smile

CCCCCC(C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations