Geometry & MOs

Info

ID:	203829
PubChem CID:	79876533
Reduced:	OSF3N4C12H13 (1)
Stoich.:	ABC3D4E12F13 (1)
Weight, g/mol:	284.124881
ΔH_f, kcal/mol:	-137.33
Dipole, Da:	7.97
IP(EA), eV:	-9.3(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC2=C(C=CC(=N2)C(F)(F)F)C(=S)N

DOS

IR

Vibrations