Geometry & MOs

Info

ID:	336454
PubChem CID:	127255461
Reduced:	BrH21C38 (1)
Stoich.:	AB21C38 (1)
Weight, g/mol:	522.17911
ΔH_f, kcal/mol:	177.85
Dipole, Da:	1.83
IP(EA), eV:	-8.81(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-di(fluoranthen-3-yl)phenyl]boronic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)C5=CC(=CC(=C5)Br)C6=C7C=CC=C8C7=C(C=C6)C9=CC=CC=C98

DOS

IR

Vibrations