Geometry & MOs

Info

ID:	50238
PubChem CID:	12012753
Reduced:	BrO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	276.07249
ΔH_f, kcal/mol:	-97.8
Dipole, Da:	3.78
IP(EA), eV:	-9.4(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,11R)-11-bromo-3,3,8-trimethyl-1,5-dioxaspiro[5.5]undecane

Drug info:

PubChemData

Smile

CC1(COC2(CC[C@H](C[C@@H]2Br)C3=CC=CC=C3)OC1)C

DOS

IR

Vibrations