Geometry & MOs

Info

ID:	261521
PubChem CID:	103237767
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	314.083348
ΔH_f, kcal/mol:	-76.2
Dipole, Da:	3.58
IP(EA), eV:	-9.23(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-chloro-2-fluoroanilino)acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CNCC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations