Geometry & MOs

Info

ID:	144752
PubChem CID:	53407763
Reduced:	BrIO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	179.055387
ΔH_f, kcal/mol:	-48.38
Dipole, Da:	1.59
IP(EA), eV:	-9.82(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-1H-indol-2-yl)boronic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC(=C1)I)Br

DOS

IR

Vibrations