Geometry & MOs

Info

ID:

311852

PubChem CID:

126598398

Reduced:

N5H61C63 (1)

Stoich.:

A5B61C63 (1)

Weight, g/mol:

688.320212

ΔHf, kcal/mol:

162.58

Dipole, Da:

2.78

IP(EA), eV:

 -8.12(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C3C(=C2)C4=C(N3C5=CC=CC=C5)C=CC(=C4)C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC9=C(C=C8)N(C2=CC3=C(C=C29)C(C(C3(C)C)(C)C)(C)C)C2=CC=CC=C2)C(C1(C)C)(C)C)C

DOS

IR

Vibrations