Geometry & MOs

Info

ID:	12215
PubChem CID:	132453
Reduced:	C9O9H22 (1)
Stoich.:	A9B9C22 (1)
Weight, g/mol:	274.126382
ΔH_f, kcal/mol:	-436.24
Dipole, Da:	1.45
IP(EA), eV:	-10.64(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations