Geometry & MOs

Info

ID:	318470
PubChem CID:	126651462
Reduced:	FIN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	204.99024
ΔH_f, kcal/mol:	-15.19
Dipole, Da:	1.83
IP(EA), eV:	-9.27(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromoethynyl)-4-fluoropiperidine

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@H]1N)F)CC2=CC=C(C=C2)I

DOS

IR

Vibrations