Geometry & MOs

Info

ID:	42457
PubChem CID:	8149576
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	20.29
Dipole, Da:	7.98
IP(EA), eV:	-8.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations