Geometry & MOs

Info

ID:	42368
PubChem CID:	8149481
Reduced:	ClFON3C20H23 (1)
Stoich.:	ABCD3E20F23 (1)
Weight, g/mol:	375.151368
ΔH_f, kcal/mol:	-65.38
Dipole, Da:	5.48
IP(EA), eV:	-8.56(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-chloro-4-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations