Geometry & MOs

Info

ID:	42448
PubChem CID:	8149566
Reduced:	FON3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	377.171497
ΔH_f, kcal/mol:	-58.39
Dipole, Da:	5.08
IP(EA), eV:	-7.88(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)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