Geometry & MOs

Info

ID:	319561
PubChem CID:	126656635
Reduced:	ON3H27C41 (1)
Stoich.:	AB3C27D41 (1)
Weight, g/mol:	565.215412
ΔH_f, kcal/mol:	285.1
Dipole, Da:	2.67
IP(EA), eV:	-8.05(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(6-cyclohexa-2,4-dien-1-yl-2-phenylpyrimidin-4-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC4=C(C5=C3N(C6=CC=CC=C65)C7=CC=CC=C7)OC8C4C=CC=C8)C9=CC=CC=C=C9

DOS

IR

Vibrations