Geometry & MOs

Info

ID:

316486

PubChem CID:

126630993

Reduced:

O3N5H33C62 (1)

Stoich.:

A3B5C33D62 (1)

Weight, g/mol:

895.25834

ΔHf, kcal/mol:

250.57

Dipole, Da:

4.54

IP(EA), eV:

 -8.28(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[2,3-bis([1]benzofuro[3,2-b]carbazol-11-yl)quinoxalin-5-yl]-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC4=C(C=C3N2C5=CC6=C(C=C5)N=NC(=C6N7C8=CC=CC=C8C9=CC1=C(C=C97)OC2=CC=CC=C21)N1C2=CC=CC=C2C2=CC3=C(C=C21)OC1=CC=CC=C13)OC1=CC=CC=C14

DOS

IR

Vibrations