Geometry & MOs

Info

ID:	12971
PubChem CID:	219314
Reduced:	OC5H10 (2)
Stoich.:	AB5C10 (2)
Weight, g/mol:	172.14633
ΔH_f, kcal/mol:	-131.99
Dipole, Da:	4.87
IP(EA), eV:	-10.57(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-diethylhexanoic acid

Drug info:

PubChemData

Smile

CCCCC(CC)(CC)C(=O)O

DOS

IR

Vibrations