Geometry & MOs

Info

ID:	69925
PubChem CID:	47205772
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-89.59
Dipole, Da:	5.4
IP(EA), eV:	-9.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]butanamide

Drug info:

PubChemData

Smile

CCCCN(CC(=O)N)C(=O)C1=CC=C(S1)CC

DOS

IR

Vibrations