Geometry & MOs

Info

ID:	203820
PubChem CID:	79874766
Reduced:	FNH4C5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	301.140197
ΔH_f, kcal/mol:	-77.17
Dipole, Da:	1.62
IP(EA), eV:	-9.1(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC2=C(C=CC(=N2)C(F)(F)F)C#N

DOS

IR

Vibrations