Geometry & MOs

Info

ID:	54738
PubChem CID:	17389182
Reduced:	O4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	-105.22
Dipole, Da:	3.19
IP(EA), eV:	-9.96(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCO[C@@H]1[C@H]2CO[C@@H](O2)[C@H]3[C@@H]1O3

DOS

IR

Vibrations