Geometry & MOs

Info

ID:

442546

PubChem CID:

135252819

Reduced:

O2N5H18C31 (2)

Stoich.:

A2B5C18D31 (2)

Weight, g/mol:

664.237545

ΔHf, kcal/mol:

360.01

Dipole, Da:

1.55

IP(EA), eV:

 -8.45(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,14-bis(4-quinoxalin-6-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC(=CC(=C4)C5=CC=C(C=C5)C6=NC=NO6)C7=CC=C(C=C7)C8=NC=NO8)C9=C(C=C3)N(C1=CC=CC=C19)C1=CC(=CC(=C1)C1=CC=C(C=C1)C1=NC=NO1)C1=CC=C(C=C1)C1=NC=NO1

DOS

IR

Vibrations