Geometry & MOs

Info

ID:	294868
PubChem CID:	117501515
Reduced:	BrFNO2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	315.02702
ΔH_f, kcal/mol:	-101.39
Dipole, Da:	3.46
IP(EA), eV:	-8.83(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CNC1)C2=C(C=C3C(=C2F)OCCO3)Br

DOS

IR

Vibrations