Geometry & MOs

Info

ID:	263438
PubChem CID:	103367486
Reduced:	F3N4C9H15 (1)
Stoich.:	A3B4C9D15 (1)
Weight, g/mol:	243.098332
ΔH_f, kcal/mol:	-117.9
Dipole, Da:	5.2
IP(EA), eV:	-8.84(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[[(3-methylpyridin-4-yl)methylamino]methyl]propanenitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)NCC(C#N)C(F)(F)F

DOS

IR

Vibrations