Geometry & MOs

Info

ID:	42449
PubChem CID:	8149567
Reduced:	OF3N3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	377.171497
ΔH_f, kcal/mol:	-139.95
Dipole, Da:	6.22
IP(EA), eV:	-8.17(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations