Geometry & MOs

Info

ID:

377659

PubChem CID:

134223723

Reduced:

ON5H43C66 (1)

Stoich.:

AB5C43D66 (1)

Weight, g/mol:

895.294725

ΔHf, kcal/mol:

281.9

Dipole, Da:

4.27

IP(EA), eV:

 -7.99(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC(=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C=CC(=C5)C1=CC2=C(C=C1)C1=C(N2C2=CC=CC=C2)C=C2C(=C1)C1=CC=CC=C1O2)C

DOS

IR

Vibrations