Geometry & MOs

Info

ID:	313369
PubChem CID:	126614134
Reduced:	BrON2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	301.140197
ΔH_f, kcal/mol:	44.14
Dipole, Da:	5.32
IP(EA), eV:	-8.54(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylbut-3-yn-2-yl)-2-(3,3,3-trifluoropropylamino)-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1=CC=CC=C1)C2=C(C=C(C=C2)Br)C(=O)NC(C)(C)C#C

DOS

IR

Vibrations