Geometry & MOs

Info

ID:	18891
PubChem CID:	550534
Reduced:	O2C9F16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	443.96428
ΔH_f, kcal/mol:	-876.91
Dipole, Da:	0.93
IP(EA), eV:	-13.08(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3,3,3a,4,4,5,5,6,6,7,7-tridecafluoro-7a-(trifluoromethoxy)-1-benzofuran

Drug info:

PubChemData

Smile

C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(OC(C2(F)F)(F)F)OC(F)(F)F)F

DOS

IR

Vibrations