Geometry & MOs

Info

ID:

442503

PubChem CID:

135252493

Reduced:

N4H42C59 (1)

Stoich.:

A4B42C59 (1)

Weight, g/mol:

979.338322

ΔHf, kcal/mol:

270.05

Dipole, Da:

0.64

IP(EA), eV:

 -7.9(-0.87)

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C83)C9=NC(=NC(=C9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations