Geometry & MOs

Info

ID:	2055
PubChem CID:	5677
Reduced:	NO7C10H21 (1)
Stoich.:	AB7C10D21 (1)
Weight, g/mol:	267.131802
ΔH_f, kcal/mol:	-341.57
Dipole, Da:	2.74
IP(EA), eV:	-9.4(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-dihydroxypropan-2-ylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO

DOS

IR

Vibrations