Geometry & MOs

Info

ID:	403872
PubChem CID:	135062351
Reduced:	BNO3C27H42 (1)
Stoich.:	ABC3D27E42 (1)
Weight, g/mol:	276.189675
ΔH_f, kcal/mol:	-237.6
Dipole, Da:	5.45
IP(EA), eV:	-8.83(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(CC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations