Geometry & MOs

Info

ID:	295189
PubChem CID:	117520953
Reduced:	BrClSO4C13H16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	383.0144
ΔH_f, kcal/mol:	-153.04
Dipole, Da:	5.15
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-bromo-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)methyl]piperidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CS(=O)(=O)Cl)Br)OC2CCCC2

DOS

IR

Vibrations