Geometry & MOs

Info

ID:	168634
PubChem CID:	74997706
Reduced:	NaO5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	364.224974
ΔH_f, kcal/mol:	-253.94
Dipole, Da:	15.0
IP(EA), eV:	-8.51(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(cyclohexylmethyl)-4,6-dimethylphenoxy]-3,5-dihydroxyhexanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)CC2CCCCC2)OCC(CC(CC(=O)[O-])O)O)C.[Na+]

DOS

IR

Vibrations