Geometry & MOs

Info

ID:	400694
PubChem CID:	135048777
Reduced:	BSO3C33H63 (1)
Stoich.:	ABC3D33E63 (1)
Weight, g/mol:	294.20024
ΔH_f, kcal/mol:	-276.27
Dipole, Da:	2.18
IP(EA), eV:	-8.06(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-2-[5-(oxan-2-yloxy)pent-2-ynyl]-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

B(C[C@@H]1C[C@H](CC[C@@H]1C(C)C)C)(C[C@@H]2C[C@H](CC[C@@H]2C(C)C)C)O/C(=C/OC(CC)OCC)/SC(C)(C)C

DOS

IR

Vibrations