Geometry & MOs

Info

ID:	42402
PubChem CID:	8149516
Reduced:	OCl2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	391.121818
ΔH_f, kcal/mol:	-28.23
Dipole, Da:	3.69
IP(EA), eV:	-8.3(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations