Geometry & MOs

Info

ID:	138124
PubChem CID:	52316449
Reduced:	O6C13H22 (1)
Stoich.:	A6B13C22 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-284.61
Dipole, Da:	2.8
IP(EA), eV:	-10.06(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-4,5-dihydroxy-3-(hydroxymethyl)-2-pentylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCC[C@H]1CC2=C([C@H]([C@@H]([C@@H]([C@@H]2O)O)O)O)[C@@H](O1)OC

DOS

IR

Vibrations