Geometry & MOs

Info

ID:	138125
PubChem CID:	52316450
Reduced:	OC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-191.88
Dipole, Da:	4.01
IP(EA), eV:	-10.31(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-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