Geometry & MOs

Info

ID:	42379
PubChem CID:	8149492
Reduced:	OSF2N2C19H26 (1)
Stoich.:	ABC2D2E19F26 (1)
Weight, g/mol:	341.190341
ΔH_f, kcal/mol:	-4.51
Dipole, Da:	22.43
IP(EA), eV:	-4.36(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[NH+](CCC1[NH2+]CC2=CC=C(O2)CSC(F)F)CC3=CC=CC=C3

DOS

IR

Vibrations