Geometry & MOs

Info

ID:	399111
PubChem CID:	135037836
Reduced:	O3C19H36 (1)
Stoich.:	A3B19C36 (1)
Weight, g/mol:	204.099774
ΔH_f, kcal/mol:	-193.2
Dipole, Da:	0.33
IP(EA), eV:	-9.9(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde

Drug info:

PubChemData

Smile

CCCCC[C@H]1[C@@H](C[C@H](O1)[C@H](CCCCCCCC=C)O)O

DOS

IR

Vibrations