Geometry & MOs

Info

ID:	252282
PubChem CID:	103110251
Reduced:	OF3N4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	249.12774
ΔH_f, kcal/mol:	-151.48
Dipole, Da:	4.6
IP(EA), eV:	-9.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyano-3-fluoroanilino)-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=C(C=CC(=N1)C(F)(F)F)C#N

DOS

IR

Vibrations