Geometry & MOs

Info

ID:	52727
PubChem CID:	12015789
Reduced:	IC8H8F9 (1)
Stoich.:	AB8C8D9 (1)
Weight, g/mol:	444.171084
ΔH_f, kcal/mol:	-461.95
Dipole, Da:	3.44
IP(EA), eV:	-9.89(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)non-8-enoate

Drug info:

PubChemData

Smile

C(CCI)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations