Geometry & MOs

Info

ID:	315686
PubChem CID:	126628547
Reduced:	O3C15H26 (1)
Stoich.:	A3B15C26 (1)
Weight, g/mol:	258.219495
ΔH_f, kcal/mol:	-156.34
Dipole, Da:	2.28
IP(EA), eV:	-9.2(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R,7S)-3-hydroxy-2,2,5,7,8,8-hexamethylnonanoic acid

Drug info:

PubChemData

Smile

CC1(CCC(CC1)C(C)(C)C(=O)OC)C(=C)OC

DOS

IR

Vibrations