Geometry & MOs

Info

ID:	163208
PubChem CID:	57654765
Reduced:	H40C57 (1)
Stoich.:	A40B57 (1)
Weight, g/mol:	456.22606
ΔH_f, kcal/mol:	220.95
Dipole, Da:	0.44
IP(EA), eV:	-8.25(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-2-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(C3=C(C2C4=CC=CC=C4)C=C(C=C3)C5=CC(=CC=C5)C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC1=CC=CC=C1C=C9)C1=CC=CC=C1

DOS

IR

Vibrations