Geometry & MOs

Info

ID:	170879
PubChem CID:	75291835
Reduced:	BO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	258.142725
ΔH_f, kcal/mol:	-174.31
Dipole, Da:	3.32
IP(EA), eV:	-9.23(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-phenyl-5-propyl-1,3,2-dioxaborolan-4-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

B1(OC(CC(O1)CC(C)C)CCCC)C2=CC=CC=C2

DOS

IR

Vibrations