Geometry & MOs

Info

ID:	342350
PubChem CID:	127265173
Reduced:	ClSO4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	291.127072
ΔH_f, kcal/mol:	-146.31
Dipole, Da:	7.6
IP(EA), eV:	-8.96(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC=CCS(=O)(=O)CCC1=CC2=C(C(=C1)Cl)OCCCO2

DOS

IR

Vibrations