Geometry & MOs

Info

ID:	56323
PubChem CID:	17425098
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	258.093519
ΔH_f, kcal/mol:	4.49
Dipole, Da:	4.38
IP(EA), eV:	-8.59(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(tert-butylamino)-N-(5-chloro-2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1CCC2CN(CCC2C1)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N

DOS

IR

Vibrations