Geometry & MOs

Info

ID:	170878
PubChem CID:	75291834
Reduced:	BO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	274.21041
ΔH_f, kcal/mol:	-159.68
Dipole, Da:	3.55
IP(EA), eV:	-9.24(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-6-(2-methylpropyl)-2-phenyl-1,3,2-dioxaborinane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations