Geometry & MOs

Info

ID:	205032
PubChem CID:	80047572
Reduced:	O3C11H20 (1)
Stoich.:	A3B11C20 (1)
Weight, g/mol:	218.151809
ΔH_f, kcal/mol:	-156.15
Dipole, Da:	5.96
IP(EA), eV:	-10.5(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-4-methoxybutan-2-yl)hexanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations