Geometry & MOs

Info

ID:	303497
PubChem CID:	124489822
Reduced:	ClHC6F6 (1)
Stoich.:	ABC6D6 (1)
Weight, g/mol:	221.967097
ΔH_f, kcal/mol:	-255.18
Dipole, Da:	1.35
IP(EA), eV:	-10.62(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R)-5-chloro-1,2,3,4,5,6-hexafluorocyclohexa-1,3-diene

Drug info:

PubChemData

Smile

[C@@H]1(C(=C(C(=C([C@@]1(F)Cl)F)F)F)F)F

DOS

IR

Vibrations