Geometry & MOs

Info

ID:

319447

PubChem CID:

126656061

Reduced:

ON2H17C28 (2)

Stoich.:

AB2C17D28 (2)

Weight, g/mol:

564.195011

ΔHf, kcal/mol:

221.08

Dipole, Da:

2.05

IP(EA), eV:

 -8.08(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)N=C(N=C2C3=CC4=C(C=C3)OC5=CC=CC=C54)N6C7=CC=CC=C7C8=C(C=C9C1=CC=CC=C1OC9=C86)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations