Geometry & MOs

Info

ID:	27960
PubChem CID:	824340
Reduced:	ON2H12C16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	326.143056
ΔH_f, kcal/mol:	33.34
Dipole, Da:	6.18
IP(EA), eV:	-9.41(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-fluorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC=NC=C3

DOS

IR

Vibrations