Geometry & MOs

Info

ID:	167885
PubChem CID:	74890483
Reduced:	BrFON2H6C7 (1)
Stoich.:	ABCD2E6F7 (1)
Weight, g/mol:	275.96048
ΔH_f, kcal/mol:	-48.66
Dipole, Da:	3.65
IP(EA), eV:	-10.22(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-fluoro-3-methoxycarbonylphenyl)boronic acid

Drug info:

PubChemData

Smile

CNC(=O)C1=C(N=CC(=C1)Br)F

DOS

IR

Vibrations