Geometry & MOs

Info

ID:	294541
PubChem CID:	117468394
Reduced:	BrFNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	289.01137
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	3.2
IP(EA), eV:	-8.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-fluoro-6-methoxy-3-pyrrolidin-3-ylphenol

Drug info:

PubChemData

Smile

CNCCC1=CC2=C(C(=C1F)Br)OCCO2

DOS

IR

Vibrations