Geometry & MOs

Info

ID:

441829

PubChem CID:

135245514

Reduced:

ON4H26C42 (1)

Stoich.:

AB4C26D42 (1)

Weight, g/mol:

816.325297

ΔHf, kcal/mol:

207.89

Dipole, Da:

0.93

IP(EA), eV:

 -8.75(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-(7a,11a-dihydrobenzo[c]carbazol-7-yl)-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C(C=CC4=CC=CC=C43)C5=CC=C(C6=CC=CC=C65)C7=NC8=CC=CC=C8O7)C9=CC=CC=C9

DOS

IR

Vibrations