Geometry & MOs

Info

ID:	294866
PubChem CID:	117501513
Reduced:	BrFNO2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	315.02702
ΔH_f, kcal/mol:	-102.32
Dipole, Da:	2.12
IP(EA), eV:	-8.91(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC1C2=CC3=C(C(=C2F)Br)OCCO3

DOS

IR

Vibrations