Geometry & MOs

Info

ID:	198036
PubChem CID:	79035072
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	311.072449
ΔH_f, kcal/mol:	-163.41
Dipole, Da:	3.99
IP(EA), eV:	-9.37(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[3-(3-chloro-4-fluorophenyl)prop-2-enoyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C(=O)N2CCCC[C@@H]2C(=O)O

DOS

IR

Vibrations