Geometry & MOs

Info

ID:	190314
PubChem CID:	77984413
Reduced:	O3C8H11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	308.125988
ΔH_f, kcal/mol:	-249.16
Dipole, Da:	4.0
IP(EA), eV:	-9.18(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(7,7a-dihydro-1,3-benzodioxol-5-yl)-8-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

CC1(OC2C(CC(C(C2O)O1)O)C3=CCC4C(=C3)OCO4)C

DOS

IR

Vibrations