Geometry & MOs

Info

ID:

442505

PubChem CID:

135252496

Reduced:

ON4H21C33 (2)

Stoich.:

AB4C21D33 (2)

Weight, g/mol:

979.338322

ΔHf, kcal/mol:

308.29

Dipole, Da:

3.41

IP(EA), eV:

 -8.06(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-5-[4-[11-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]-4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaen-5-yl]phenyl]pyrido[4,3-b]indol-8-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=C4C=NC=C5)C6=CC=C(C=C6)C7=NC8=CC9=C(C=C8O7)OC(=N9)C1=CC=C(C=C1)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=C1C=CN=C2

DOS

IR

Vibrations