Geometry & MOs

Info

ID:	226049
PubChem CID:	87269986
Reduced:	ClS2N6O7C32H41 (1)
Stoich.:	AB2C6D7E32F41 (1)
Weight, g/mol:	434.091255
ΔH_f, kcal/mol:	-239.85
Dipole, Da:	11.02
IP(EA), eV:	-9.2(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@H](CN3C(=O)C(C4CCCCC4)NC(=S)N)C5C6=C(CN5C(=O)O)C(=CC=C6)Cl

DOS

IR

Vibrations