Geometry & MOs

Info

ID:	294865
PubChem CID:	117501492
Reduced:	BrNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	315.02702
ΔH_f, kcal/mol:	-110.58
Dipole, Da:	4.03
IP(EA), eV:	-9.35(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1C(=O)CCN)Br)C=O)OC

DOS

IR

Vibrations