Geometry & MOs

Info

ID:	415772
PubChem CID:	135088773
Reduced:	ClFN2O4C17H18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-145.69
Dipole, Da:	0.31
IP(EA), eV:	-9.51(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-ethylpyridin-2-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)COC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations