Geometry & MOs

Info

ID:	294867
PubChem CID:	117501514
Reduced:	BrFNO2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	315.02702
ΔH_f, kcal/mol:	-102.54
Dipole, Da:	3.79
IP(EA), eV:	-8.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine

Drug info:

PubChemData

Smile

C1CC(CNC1)C2=C(C=C3C(=C2Br)OCCO3)F

DOS

IR

Vibrations