Geometry & MOs

Info

ID:	167778
PubChem CID:	74873971
Reduced:	ClFN2O2C15H18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	249.116507
ΔH_f, kcal/mol:	-105.47
Dipole, Da:	5.11
IP(EA), eV:	-8.91(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)C(=O)C=CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations