Geometry & MOs

Info

ID:	314721
PubChem CID:	126622844
Reduced:	F2O3N5H13C14 (1)
Stoich.:	A2B3C5D13E14 (1)
Weight, g/mol:	295.169605
ΔH_f, kcal/mol:	-133.56
Dipole, Da:	7.69
IP(EA), eV:	-9.3(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-N-(6-pentoxypyridin-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)NC2=NN(C=C2)C3=NC=C(C=C3)F)C(=O)O)F

DOS

IR

Vibrations