Geometry & MOs

Info

ID:	386135
PubChem CID:	134980874
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	128.08373
ΔH_f, kcal/mol:	-85.69
Dipole, Da:	0.82
IP(EA), eV:	-8.64(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,4R)-1,3-dimethyl-2,6-dioxabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C[C@]12CC=CC=C1CCC[C@@H]2OCOC

DOS

IR

Vibrations