Geometry & MOs

Info

ID:	400599
PubChem CID:	135048450
Reduced:	BC17H33 (1)
Stoich.:	AB17C33 (1)
Weight, g/mol:	334.340696
ΔH_f, kcal/mol:	-42.2
Dipole, Da:	1.06
IP(EA), eV:	-9.55(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3-trihexyl-6H-oxaborinine

Drug info:

PubChemData

Smile

B(CCC)(CCC)[C@H]1C[C@@]1(C)C(CCC)C(=C)C

DOS

IR

Vibrations