Geometry & MOs

Info

ID:	25011
PubChem CID:	616635
Reduced:	BrO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	346.02046
ΔH_f, kcal/mol:	-73.9
Dipole, Da:	0.88
IP(EA), eV:	-9.41(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5'-bromo-5,5-dimethylspiro[1,3-dioxane-2,2'-acenaphthylene]-1'-one

Drug info:

PubChemData

Smile

CC1(COC2(C3=C4C(=C(C=C3)Br)C=CC=C4C2=O)OC1)C

DOS

IR

Vibrations