Geometry & MOs

Info

ID:	294869
PubChem CID:	117501532
Reduced:	BrFNO2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	315.02702
ΔH_f, kcal/mol:	-103.03
Dipole, Da:	2.63
IP(EA), eV:	-8.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)methyl]piperidine

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC3=C(C(=C2F)Br)OCCO3)N

DOS

IR

Vibrations