Geometry & MOs

Info

ID:	409436
PubChem CID:	135082217
Reduced:	BiO2H9F12C18 (1)
Stoich.:	AB2C9D12E18 (1)
Weight, g/mol:	492.1502
ΔH_f, kcal/mol:	-609.57
Dipole, Da:	6.94
IP(EA), eV:	-9.97(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methoxypropan-2-yl)phenyl]-3,3-dimethyl-2,1-benzoxabismole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(O[Bi]2C3=CC=CC=C3C(C(F)(F)F)(C(F)(F)F)O)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations