Geometry & MOs

Info

ID:	145167
PubChem CID:	53473640
Reduced:	B2O5C24H38 (1)
Stoich.:	A2B5C24D38 (1)
Weight, g/mol:	442.269799
ΔH_f, kcal/mol:	-393.01
Dipole, Da:	1.93
IP(EA), eV:	-8.4(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C3=C2CCCC3)B4OC(C(O4)(C)C)(C)C)COC

DOS

IR

Vibrations