Geometry & MOs

Info

ID:	140327
PubChem CID:	52682920
Reduced:	FON2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	326.179442
ΔH_f, kcal/mol:	-50.09
Dipole, Da:	5.73
IP(EA), eV:	-8.34(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC(=O)N1CCC[C@@H]1C2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations