Geometry & MOs

Info

ID:	337897
PubChem CID:	127258520
Reduced:	O4C11H22 (1)
Stoich.:	A4B11C22 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	-202.96
Dipole, Da:	1.81
IP(EA), eV:	-9.85(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-diethylhexyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(CC)OCCOC

DOS

IR

Vibrations