Geometry & MOs

Info

ID:

442161

PubChem CID:

135250197

Reduced:

O2N5H43C46 (1)

Stoich.:

A2B5C43D46 (1)

Weight, g/mol:

847.436245

ΔHf, kcal/mol:

66.48

Dipole, Da:

8.13

IP(EA), eV:

 -8.28(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-phenyl-3,9-bis[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridin-3-yl]benzo[a]carbazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations