Geometry & MOs

Info

ID:	434062
PubChem CID:	135174219
Reduced:	BrClON2C19H22 (1)
Stoich.:	ABCD2E19F22 (1)
Weight, g/mol:	531.957892
ΔH_f, kcal/mol:	16.81
Dipole, Da:	5.49
IP(EA), eV:	-9.02(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-6-(trifluoromethoxy)hexane

Drug info:

PubChemData

Smile

C1C(CN1)CNCCC2=CC(=CC=C2)COC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations