Geometry & MOs

Info

ID:	391872
PubChem CID:	135010452
Reduced:	O2H14C19 (1)
Stoich.:	A2B14C19 (1)
Weight, g/mol:	544.326109
ΔH_f, kcal/mol:	53.48
Dipole, Da:	2.29
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-hexyl-6-(9-hexylcarbazol-3-yl)carbazol-3-yl]boronic acid

Drug info:

PubChemData

Smile

CC(=O)OC=C=CC1=CC=CC=C1C#CC2=CC=CC=C2

DOS

IR

Vibrations