Geometry & MOs

Info

ID:	160470
PubChem CID:	57309818
Reduced:	O5C28H44 (1)
Stoich.:	A5B28C44 (1)
Weight, g/mol:	200.17763
ΔH_f, kcal/mol:	-249.72
Dipole, Da:	2.92
IP(EA), eV:	-9.27(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-diethyloctanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)OCCCCCCOC(=O)C=C

DOS

IR

Vibrations