Geometry & MOs

Info

ID:	22535
PubChem CID:	597557
Reduced:	B2O6C23H28 (1)
Stoich.:	A2B6C23D28 (1)
Weight, g/mol:	422.207199
ΔH_f, kcal/mol:	-338.98
Dipole, Da:	2.06
IP(EA), eV:	-9.4(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-(2-ethyl-1,3,2-dioxaborolan-4-yl)-4-[(4-phenylphenyl)methoxy]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaborole

Drug info:

PubChemData

Smile

B1(OCC(O1)C2C3C(C(O2)OCC4=CC=C(C=C4)C5=CC=CC=C5)OB(O3)CC)CC

DOS

IR

Vibrations