Geometry & MOs

Info

ID:	140326
PubChem CID:	52682562
Reduced:	F3O3N6C21H25 (1)
Stoich.:	A3B3C6D21E25 (1)
Weight, g/mol:	326.179442
ΔH_f, kcal/mol:	-184.45
Dipole, Da:	1.6
IP(EA), eV:	-9.26(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-ethylanilino)-1-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=NO1)C2=CC(=CC=C2)C(F)(F)F)N3CCN(CC3)CC(=O)NC(=O)NC4CC4

DOS

IR

Vibrations