Geometry & MOs

Info

ID:

445078

PubChem CID:

135264494

Reduced:

N2H12C17 (2)

Stoich.:

A2B12C17 (2)

Weight, g/mol:

563.210996

ΔHf, kcal/mol:

190.16

Dipole, Da:

4.26

IP(EA), eV:

 -8.03(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(2,6-dipyridin-2-ylpyridin-4-yl)-6-phenyl-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=C(C=N2)N(C3=CC4=CC=CC=C4C=C3)C5=CC=CC6=C5C=CN6C7=CC=CC=C7

DOS

IR

Vibrations