Geometry & MOs

Info

ID:	197121
PubChem CID:	78924629
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	329.00628
ΔH_f, kcal/mol:	-118.97
Dipole, Da:	6.51
IP(EA), eV:	-9.4(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(3-bromo-5-fluorobenzoyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)O)NC(=O)C2CC(=O)NC2

DOS

IR

Vibrations