Geometry & MOs

Info

ID:	410679
PubChem CID:	135083480
Reduced:	BiOH8F9C16 (1)
Stoich.:	ABC8D9E16 (1)
Weight, g/mol:	585.09401
ΔH_f, kcal/mol:	-412.81
Dipole, Da:	7.32
IP(EA), eV:	-9.92(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3,3-bis(trifluoromethyl)-2,1-benzoxabismol-1-yl]phenyl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations