Geometry & MOs

Info

ID:	319542
PubChem CID:	126656586
Reduced:	ON3H33C47 (1)
Stoich.:	AB3C33D47 (1)
Weight, g/mol:	679.262363
ΔH_f, kcal/mol:	194.54
Dipole, Da:	1.96
IP(EA), eV:	-8.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

CC1C=C(C=CC1C2=CC=CC=C2)C3=C4C(=C5C(=C3)C6=CC=CC=C6O5)C7=CC=CC=C7N4C8=NC(=NC(=C8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations