Geometry & MOs

Info

ID:	391610
PubChem CID:	135007178
Reduced:	O7C14H22 (1)
Stoich.:	A7B14C22 (1)
Weight, g/mol:	272.125988
ΔH_f, kcal/mol:	-308.39
Dipole, Da:	2.59
IP(EA), eV:	-10.04(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3aR,5S,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]but-3-en-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)C([C@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OC)O

DOS

IR

Vibrations