Geometry & MOs

Info

ID:	251244
PubChem CID:	103102439
Reduced:	ClON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	189.06689
ΔH_f, kcal/mol:	-4.12
Dipole, Da:	5.85
IP(EA), eV:	-9.12(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-2-cyanoethyl)-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=C(C=C(C=C1)C#N)Cl)CC(=O)N

DOS

IR

Vibrations