Geometry & MOs

Info

ID:

442159

PubChem CID:

135250188

Reduced:

N7C48H49 (1)

Stoich.:

A7B48C49 (1)

Weight, g/mol:

723.404945

ΔHf, kcal/mol:

150.79

Dipole, Da:

1.95

IP(EA), eV:

 -8.07(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,9-bis[6-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridin-2-yl]-11-phenylbenzo[a]carbazole

Drug info:

PubChemData

Smile

CC1=NC(C(N1C2=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)N9C(=NC(C9(C)C)(C)C)C)(C)C)(C)C

DOS

IR

Vibrations