Geometry & MOs

Info

ID:	18927
PubChem CID:	551048
Reduced:	BO3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	170.111424
ΔH_f, kcal/mol:	-218.53
Dipole, Da:	4.01
IP(EA), eV:	-10.71(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-6-methyl-1,3,2-dioxaborinan-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations