Geometry & MOs

Info

ID:	54740
PubChem CID:	17389184
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	292.131074
ΔH_f, kcal/mol:	-147.01
Dipole, Da:	2.77
IP(EA), eV:	-9.59(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,4R,5R)-3-phenylmethoxy-2-prop-2-enoxy-6,8-dioxabicyclo[3.2.1]octan-4-ol

Drug info:

PubChemData

Smile

C1[C@H]2CO[C@H](O2)[C@@H]([C@H]1OCC3=CC=CC=C3)O

DOS

IR

Vibrations