Geometry & MOs

Info

ID:	392522
PubChem CID:	135017029
Reduced:	O3C8H10 (2)
Stoich.:	A3B8C10 (2)
Weight, g/mol:	288.120903
ΔH_f, kcal/mol:	-209.78
Dipole, Da:	4.86
IP(EA), eV:	-9.61(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,7aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one

Drug info:

PubChemData

Smile

COC(=O)C1[C@H]2[C@@H]1O[C@@H]([C@@H]2OCC3=CC=CC=C3)C(CO)O

DOS

IR

Vibrations