Geometry & MOs

Info

ID:	15471
PubChem CID:	442424
Reduced:	O5C11H14 (1)
Stoich.:	A5B11C14 (1)
Weight, g/mol:	226.084124
ΔH_f, kcal/mol:	-202.22
Dipole, Da:	1.78
IP(EA), eV:	-9.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O

DOS

IR

Vibrations