Geometry & MOs

Info

ID:	54737
PubChem CID:	17389181
Reduced:	O4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	184.073559
ΔH_f, kcal/mol:	-104.86
Dipole, Da:	3.67
IP(EA), eV:	-9.93(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R,5R,6R)-5-prop-2-enoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations