Geometry & MOs

Info

ID:	18916
PubChem CID:	551002
Reduced:	BO2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	224.139119
ΔH_f, kcal/mol:	-248.9
Dipole, Da:	1.35
IP(EA), eV:	-10.64(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,9-dipropyl-3,5,8,10-tetraoxa-4,9-diboratricyclo[5.3.0.02,6]decane

Drug info:

PubChemData

Smile

B1(OC2C(O1)C3C2OB(O3)CCC)CCC

DOS

IR

Vibrations