Geometry & MOs

Info

ID:	54739
PubChem CID:	17389183
Reduced:	O4C9H14 (1)
Stoich.:	A4B9C14 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-156.77
Dipole, Da:	2.7
IP(EA), eV:	-9.72(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,4R,5R)-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-ol

Drug info:

PubChemData

Smile

C=CCO[C@H]1C[C@H]2CO[C@H]([C@@H]1O)O2

DOS

IR

Vibrations