Geometry & MOs

Info

ID:	402096
PubChem CID:	135054335
Reduced:	O4C19H26 (1)
Stoich.:	A4B19C26 (1)
Weight, g/mol:	526.306185
ΔH_f, kcal/mol:	-142.22
Dipole, Da:	3.88
IP(EA), eV:	-8.98(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4,6-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,3a,7a-tetrahydro-2-benzofuran-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

CC1=C2COCCCCCC3(CC2=C(CO3)C4=C1COC4)OC

DOS

IR

Vibrations