Geometry & MOs

Info

ID:	313372
PubChem CID:	126614138
Reduced:	OF3N3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	346.13044
ΔH_f, kcal/mol:	-153.9
Dipole, Da:	3.46
IP(EA), eV:	-9.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-(2-methylbut-3-yn-2-yl)-2-[2-(1,1,2-trifluoroethoxy)ethylamino]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations