Geometry & MOs

Info

ID:	306661
PubChem CID:	125165210
Reduced:	ClON4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	328.158706
ΔH_f, kcal/mol:	36.66
Dipole, Da:	5.19
IP(EA), eV:	-9.04(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(3-fluoro-4-methylphenyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)[C@H](CNC(=O)C2=CN=C(C=C2)C#N)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations