Geometry & MOs

Info

ID:

317149

PubChem CID:

126632662

Reduced:

ON7H45C70 (1)

Stoich.:

AB7C45D70 (1)

Weight, g/mol:

996.321275

ΔHf, kcal/mol:

336.48

Dipole, Da:

1.44

IP(EA), eV:

 -7.89(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC(=NC(=N6)N7C8=CC=CC=C8C9=CC1=C(C=C97)OC2=CC=CC=C21)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations