Geometry & MOs

Info

ID:	18116
PubChem CID:	538323
Reduced:	BO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	184.127075
ΔH_f, kcal/mol:	-220.24
Dipole, Da:	1.04
IP(EA), eV:	-10.04(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations