Geometry & MOs

Info

ID:

442162

PubChem CID:

135250206

Reduced:

N7H53C58 (1)

Stoich.:

A7B53C58 (1)

Weight, g/mol:

847.436245

ΔHf, kcal/mol:

218.12

Dipole, Da:

4.5

IP(EA), eV:

 -8.07(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=CC=CC=C2)C3=NC=C(C=C3)C4=CC5=C(C=C4)C6=C(C=C5)C7=C(N6C8=CC=CC=C8)C=C(C=C7)C9=CN=C(C=C9)N1C(=NC(C1(C)C)(C)C)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations