Geometry & MOs

Info

ID:	9412
PubChem CID:	89379
Reduced:	OC7H14 (2)
Stoich.:	AB7C14 (2)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	-152.55
Dipole, Da:	1.81
IP(EA), eV:	-10.5(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 2-ethylhexanoate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C(CC)CCCC

DOS

IR

Vibrations