Geometry & MOs

Info

ID:	313871
PubChem CID:	126618265
Reduced:	OF3N3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	455.059068
ΔH_f, kcal/mol:	-136.15
Dipole, Da:	0.67
IP(EA), eV:	-8.84(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[1-(dimethylamino)ethylidene]-1,1-difluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]pentane-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=C(C(=N2)COCC(F)(F)F)N

DOS

IR

Vibrations