Geometry & MOs

Info

ID:	42401
PubChem CID:	8149515
Reduced:	NO7C18H19 (1)
Stoich.:	AB7C18D19 (1)
Weight, g/mol:	391.121818
ΔH_f, kcal/mol:	-235.91
Dipole, Da:	2.01
IP(EA), eV:	-10.05(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,5-dichlorophenyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)[C@@H]([C@H]([C@@H](CO)O)O)O)C(=O)OCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations