Geometry & MOs

Info

ID:

442517

PubChem CID:

135252601

Reduced:

N7H51C76 (1)

Stoich.:

A7B51C76 (1)

Weight, g/mol:

642.253195

ΔHf, kcal/mol:

385.04

Dipole, Da:

2.33

IP(EA), eV:

 -7.96(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylpyrido[2,3-b]indol-6-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=CC(=CC(=C7)N8C9=CC=CC=C9C1=CC=CC=C18)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