Geometry & MOs

Info

ID:	314645
PubChem CID:	126622544
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	268.122321
ΔH_f, kcal/mol:	-124.45
Dipole, Da:	6.15
IP(EA), eV:	-8.53(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-[(1R)-1-hydroxy-2-(6-methylpyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)OCC3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations