Geometry & MOs

Info

ID:

442511

PubChem CID:

135252584

Reduced:

N7H43C63 (1)

Stoich.:

A7B43C63 (1)

Weight, g/mol:

1074.415844

ΔHf, kcal/mol:

332.13

Dipole, Da:

7.86

IP(EA), eV:

 -7.96(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[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=NC(=CC=C7)C8=CC=C(C=C8)N9C1=C(C=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=C9C=CN=C1

DOS

IR

Vibrations