Geometry & MOs

Info

ID:	42396
PubChem CID:	8149510
Reduced:	NO5C23H23 (1)
Stoich.:	AB5C23D23 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-135.07
Dipole, Da:	3.41
IP(EA), eV:	-8.78(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-cyanophenyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)N4CCC5(CC4)OCCO5

DOS

IR

Vibrations