Geometry & MOs

Info

ID:	50237
PubChem CID:	12012752
Reduced:	BrO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	338.08814
ΔH_f, kcal/mol:	-96.88
Dipole, Da:	3.89
IP(EA), eV:	-9.45(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R,11S)-11-bromo-3,3-dimethyl-9-phenyl-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