Geometry & MOs

Info

ID:

315557

PubChem CID:

126627640

Reduced:

N3H41C59 (1)

Stoich.:

A3B41C59 (1)

Weight, g/mol:

704.293997

ΔHf, kcal/mol:

261.92

Dipole, Da:

1.09

IP(EA), eV:

 -8.27(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)C4=CC(NC(=C4)C5=CC(=CC=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC(=CC=C9)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations