Geometry & MOs

Info

ID:	434078
PubChem CID:	135174235
Reduced:	F3N3C22H22 (1)
Stoich.:	A3B3C22D22 (1)
Weight, g/mol:	481.961086
ΔH_f, kcal/mol:	-72.63
Dipole, Da:	3.3
IP(EA), eV:	-9.2(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2,3,4,4-heptafluorobut-3-enoxy)-4-(trifluoromethoxy)butane

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC(=CC=C2)/C=C/C3=C(C=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations