Geometry & MOs

Info

ID:	251236
PubChem CID:	103102406
Reduced:	BrON3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	237.06689
ΔH_f, kcal/mol:	10.94
Dipole, Da:	5.32
IP(EA), eV:	-9.43(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-cyano-N-ethylanilino)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations