Geometry & MOs

Info

ID:

442508

PubChem CID:

135252547

Reduced:

N5H39C57 (1)

Stoich.:

A5B39C57 (1)

Weight, g/mol:

1039.399859

ΔHf, kcal/mol:

291.44

Dipole, Da:

1.59

IP(EA), eV:

 -7.84(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3,5-bis[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations