Geometry & MOs

Info

ID:	429361
PubChem CID:	135169384
Reduced:	N2H9C11F13 (1)
Stoich.:	A2B9C11D13 (1)
Weight, g/mol:	282.135526
ΔH_f, kcal/mol:	-666.3
Dipole, Da:	3.19
IP(EA), eV:	-9.98(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-fluoro-1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]morpholine

Drug info:

PubChemData

Smile

C1CN(CCC1C(F)(F)F)/C(=C(/C(F)(F)F)\F)/N(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations