Geometry & MOs

Info

ID:	318495
PubChem CID:	126651532
Reduced:	FSN4O5C23H25 (1)
Stoich.:	ABC4D5E23F25 (1)
Weight, g/mol:	219.00589
ΔH_f, kcal/mol:	-104.4
Dipole, Da:	7.13
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromoethynyl)-4-fluoro-1-methylpiperidine

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC3=CC=C(C=C3)C4(CNC4)F)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations