Geometry & MOs

Info

ID:	42447
PubChem CID:	8149565
Reduced:	FON3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	341.190341
ΔH_f, kcal/mol:	-58.21
Dipole, Da:	5.88
IP(EA), eV:	-7.98(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations