Geometry & MOs

Info

ID:

446252

PubChem CID:

135273548

Reduced:

N3H30C37 (2)

Stoich.:

A3B30C37 (2)

Weight, g/mol:

928.279804

ΔHf, kcal/mol:

290.3

Dipole, Da:

3.68

IP(EA), eV:

 -8.03(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-cyano-2,4-di(phenoxazin-10-yl)phenyl]-2,4-di(phenoxazin-10-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC(=C(C(=C4)C5=CC(=CC(=C5N6C7=CC=CC=C7C(C8=CC=CC=C86)(C)C)C#N)N9C1=CC=CC=C1C(C1=CC=CC=C19)(C)C)N1C2=CC=CC=C2C(C2=CC=CC=C21)(C)C)C#N)C

DOS

IR

Vibrations