Geometry & MOs

Info

ID:	50857
PubChem CID:	12013446
Reduced:	NO2F12C15H17 (1)
Stoich.:	AB2C12D15E17 (1)
Weight, g/mol:	487.101681
ΔH_f, kcal/mol:	-699.32
Dipole, Da:	3.29
IP(EA), eV:	-11.03(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octan-2-yl 2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate

Drug info:

PubChemData

Smile

CCCCCCC(C)OC(=O)C(C(N1C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations