Geometry & MOs

Info

ID:	251237
PubChem CID:	103102415
Reduced:	ClON3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	221.09644
ΔH_f, kcal/mol:	-2.19
Dipole, Da:	3.89
IP(EA), eV:	-9.43(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyano-N-ethyl-3-fluoroanilino)acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C=CC(=C1)Cl)C#N

DOS

IR

Vibrations