Geometry & MOs

Info

ID:	52263
PubChem CID:	12015074
Reduced:	O2F5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	414.142977
ΔH_f, kcal/mol:	-337.57
Dipole, Da:	4.41
IP(EA), eV:	-10.23(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1,1,1,2,2,3,3-heptafluorododec-4-en-6-yl] benzoate

Drug info:

PubChemData

Smile

CCCCCCC(/C=C/C(C(F)(F)F)(F)F)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations