Geometry & MOs

Info

ID:	139882
PubChem CID:	52611249
Reduced:	ClN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	421.249605
ΔH_f, kcal/mol:	-56.51
Dipole, Da:	4.2
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2R,3S)-3-methyl-1-[4-(4-methylpiperidin-1-yl)butylamino]-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=C(C=C1)C#N)C(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

DOS

IR

Vibrations