Geometry & MOs

Info

ID:	22103
PubChem CID:	596008
Reduced:	BO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	264.116904
ΔH_f, kcal/mol:	-254.98
Dipole, Da:	3.68
IP(EA), eV:	-8.93(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-5-(4-hydroxy-3-methoxyphenyl)-1,3,2-dioxaborolan-4-one

Drug info:

PubChemData

Smile

B1(OC(C(=O)O1)C2=CC(=C(C=C2)O)OC)CCCC

DOS

IR

Vibrations