Geometry & MOs

Info

ID:	429536
PubChem CID:	135169585
Reduced:	ON3F7C12H16 (1)
Stoich.:	AB3C7D12E16 (1)
Weight, g/mol:	417.051063
ΔH_f, kcal/mol:	-376.68
Dipole, Da:	2.51
IP(EA), eV:	-9.3(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)-1-[4-(trifluoromethyl)piperazin-1-yl]prop-1-en-1-amine

Drug info:

PubChemData

Smile

C1CN(CCN1/C(=C(/C(F)(F)F)\F)/N2CCOCC2)C(F)(F)F

DOS

IR

Vibrations