Geometry & MOs

Info

ID:	311431
PubChem CID:	126592714
Reduced:	SN2O3C13H15 (2)
Stoich.:	AB2C3D13E15 (2)
Weight, g/mol:	284.221226
ΔH_f, kcal/mol:	-153.41
Dipole, Da:	4.94
IP(EA), eV:	-8.63(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)CC(C)(C)SSC1=CC=CC=N1)/C2=CC=C(C=C2)OCCCC(=O)ON3C(=O)CCC3=O

DOS

IR

Vibrations