Geometry & MOs

Info

ID:	421076
PubChem CID:	135115355
Reduced:	ClFNO5C18H21 (1)
Stoich.:	ABCD5E18F21 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-233.04
Dipole, Da:	2.51
IP(EA), eV:	-9.62(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@@H]1O)(CC2CC2)C(=O)O)C(=O)COC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations