Geometry & MOs

Info

ID:	159705
PubChem CID:	57288647
Reduced:	SO4N6C26H28 (1)
Stoich.:	AB4C6D26E28 (1)
Weight, g/mol:	379.262363
ΔH_f, kcal/mol:	28.54
Dipole, Da:	8.89
IP(EA), eV:	-8.69(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-amino-2-(2,6-dimethylphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=NC(=S)N(C(C1C(=O)O)C2=CC=CC3=NON=C32)C(=O)CCN4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations