Geometry & MOs

Info

ID:

442158

PubChem CID:

135250179

Reduced:

O2N5H43C46 (1)

Stoich.:

A2B5C43D46 (1)

Weight, g/mol:

723.404945

ΔHf, kcal/mol:

67.76

Dipole, Da:

5.69

IP(EA), eV:

 -8.16(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,9-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridin-2-yl]-11-phenylbenzo[a]carbazole

Drug info:

PubChemData

Smile

CC1(C(OC(=N1)C2=CN=C(C=C2)C3=CC4=C(C=C3)C5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=C(C=C6)C8=NC=C(C=C8)C9=NC(C(O9)(C)C)(C)C)(C)C)C

DOS

IR

Vibrations