Geometry & MOs

Info

ID:	315837
PubChem CID:	126628994
Reduced:	ON3H33C49 (1)
Stoich.:	AB3C33D49 (1)
Weight, g/mol:	653.210327
ΔH_f, kcal/mol:	186.49
Dipole, Da:	0.67
IP(EA), eV:	-8.12(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=CC7=C(C=C6)OC8=C7C=CC=C8C9=NC(=NC(=C9)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations