Geometry & MOs

Info

ID:	313371
PubChem CID:	126614136
Reduced:	OF3N3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	299.124547
ΔH_f, kcal/mol:	-142.49
Dipole, Da:	4.85
IP(EA), eV:	-8.92(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C#C)NC(=O)C1=C(N=CC=C1)NCCC(F)(F)F

DOS

IR

Vibrations