Geometry & MOs

Info

ID:	429678
PubChem CID:	135169729
Reduced:	N2H8C11F14 (1)
Stoich.:	A2B8C11D14 (1)
Weight, g/mol:	418.110295
ΔH_f, kcal/mol:	-714.51
Dipole, Da:	3.15
IP(EA), eV:	-9.96(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,3,3,3-tetrafluoroprop-1-enyl]morpholine

Drug info:

PubChemData

Smile

C1C(CN(CC1C(F)(F)F)C(=C(F)F)N(C(F)(F)F)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations