Geometry & MOs

Info

ID:	409425
PubChem CID:	135082206
Reduced:	BiON2F6C21H23 (1)
Stoich.:	ABC2D6E21F23 (1)
Weight, g/mol:	708.03714
ΔH_f, kcal/mol:	-262.95
Dipole, Da:	11.26
IP(EA), eV:	-8.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-3,3-bis(trifluoromethyl)-2,1-benzoxabismole

Drug info:

PubChemData

Smile

CN(C)CC1=C(C(=CC=C1)CN(C)C)[Bi]2C3=CC=CC=C3C(O2)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations