Geometry & MOs

Info

ID:	386122
PubChem CID:	134980835
Reduced:	NO2C20H27 (1)
Stoich.:	AB2C20D27 (1)
Weight, g/mol:	270.17911
ΔH_f, kcal/mol:	-64.96
Dipole, Da:	1.58
IP(EA), eV:	-8.44(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-(3-methylbut-1-en-2-yl)-6-(2-phenylethyl)-5,6-dihydrooxaborinine

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1(CCC=C[C@H]1N2CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations