Geometry & MOs

Info

ID:	48505
PubChem CID:	10852008
Reduced:	BrNO2H10C14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	304.144616
ΔH_f, kcal/mol:	-8.65
Dipole, Da:	6.59
IP(EA), eV:	-9.67(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3-difluoro-4-(4-pentylphenyl)phenyl]boronic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=NC2=C(C=C(C=C2)Br)C(=O)O

DOS

IR

Vibrations