Geometry & MOs

Info

ID:	50236
PubChem CID:	12012751
Reduced:	OC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	338.08814
ΔH_f, kcal/mol:	-162.53
Dipole, Da:	4.86
IP(EA), eV:	-8.07(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R,11R)-11-bromo-3,3-dimethyl-9-phenyl-1,5-dioxaspiro[5.5]undecane

Drug info:

PubChemData

Smile

CC1(COC(=C2OCC(CO2)(C)C)OC1)C

DOS

IR

Vibrations