Geometry & MOs

Info

ID:	172256
PubChem CID:	75486466
Reduced:	BFNO3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	320.179504
ΔH_f, kcal/mol:	-242.95
Dipole, Da:	4.8
IP(EA), eV:	-9.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)F)C(=O)NC

DOS

IR

Vibrations