Geometry & MOs

Info

ID:	19547
PubChem CID:	567309
Reduced:	B3O7C13H25 (1)
Stoich.:	A3B7C13D25 (1)
Weight, g/mol:	326.187944
ΔH_f, kcal/mol:	-505.22
Dipole, Da:	2.12
IP(EA), eV:	-10.2(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(2-ethyl-1,3,2-dioxaborolan-4-yl)-5-(2-ethyl-5-methoxy-1,3,2-dioxaborolan-4-yl)-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

B1(OCC(O1)C2C(OB(O2)CC)C3C(OB(O3)CC)OC)CC

DOS

IR

Vibrations