Geometry & MOs

Info

ID:	383092
PubChem CID:	134974626
Reduced:	O7C11H20 (1)
Stoich.:	A7B11C20 (1)
Weight, g/mol:	304.152203
ΔH_f, kcal/mol:	-322.75
Dipole, Da:	2.6
IP(EA), eV:	-9.95(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5S,6R,8R)-8-hydroxy-7,7-dimethoxy-2,2-dimethyl-1,3-dioxaspiro[4.5]decane-6-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations