Geometry & MOs

Info

ID:	21724
PubChem CID:	589655
Reduced:	BO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	220.090689
ΔH_f, kcal/mol:	-205.03
Dipole, Da:	1.01
IP(EA), eV:	-9.69(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxaborolo[4,5-c]pyran-6-ol

Drug info:

PubChemData

Smile

B1(OC2CC(OCC2O1)O)C3=CC=CC=C3

DOS

IR

Vibrations