Geometry & MOs

Info

ID:	400650
PubChem CID:	135048637
Reduced:	BO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	292.199846
ΔH_f, kcal/mol:	-123.66
Dipole, Da:	2.48
IP(EA), eV:	-9.18(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(Z)-6-phenylhex-2-en-5-yn-2-yl]oxy-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C#CCCCC2=CC=CC=C2

DOS

IR

Vibrations