Geometry & MOs

Info

ID:	138126
PubChem CID:	52316451
Reduced:	OC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-192.82
Dipole, Da:	2.18
IP(EA), eV:	-10.27(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1=C([C@H]([C@@H](CC1=O)O)O)CO

DOS

IR

Vibrations