Geometry & MOs

Info

ID:	22026
PubChem CID:	595417
Reduced:	BO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	260.158375
ΔH_f, kcal/mol:	-205.85
Dipole, Da:	3.8
IP(EA), eV:	-9.38(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-5-methyl-8-propan-2-yl-1,3,2-benzodioxaborinin-4-one

Drug info:

PubChemData

Smile

B1(OC2=C(C=CC(=C2C(=O)O1)C)C(C)C)CCCC

DOS

IR

Vibrations