Geometry & MOs

Info

ID:	126364
PubChem CID:	50962271
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	1.9
Dipole, Da:	2.24
IP(EA), eV:	-9.45(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylamino]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NN(C(=C1)C(=O)NCC2=CC3=C(CCC3)N=C2)C

DOS

IR

Vibrations