Geometry & MOs

Info

ID:

311848

PubChem CID:

126598379

Reduced:

N5C57H57 (1)

Stoich.:

A5B57C57 (1)

Weight, g/mol:

762.3974

ΔHf, kcal/mol:

150.03

Dipole, Da:

1.07

IP(EA), eV:

 -7.81(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

CC1(C2=C(C=C3C(=C2)C4=C(N3C5=CC=CC=C5)C6=C(C=C4)C7=CC8=C(C=C7N6C9=NC(=NC(=N9)C2=CC=CC=C2)C2=CC=CC=C2)C(C(C8(C)C)(C)C)(C)C)C(C1(C)C)(C)C)C

DOS

IR

Vibrations