Geometry & MOs

Info

ID:	401253
PubChem CID:	135050715
Reduced:	ClMgC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	259.123985
ΔH_f, kcal/mol:	-57.69
Dipole, Da:	3.58
IP(EA), eV:	-9.32(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5R,6R,7R)-6,7-dihydroxy-4-(trimethylsilylamino)-2-oxabicyclo[3.3.1]nonan-3-one

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@@H]([C@H]1C2)[CH2-])C.[Mg+2].[Cl-]

DOS

IR

Vibrations