Geometry & MOs

Info

ID:	12373
PubChem CID:	136460
Reduced:	C3O3H7 (2)
Stoich.:	A3B3C7 (2)
Weight, g/mol:	182.079038
ΔH_f, kcal/mol:	-284.42
Dipole, Da:	2.58
IP(EA), eV:	-10.54(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol

Drug info:

PubChemData

Smile

C([C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)O

DOS

IR

Vibrations