Geometry & MOs

Info

ID:

446255

PubChem CID:

135273553

Reduced:

O2N3H18C31 (2)

Stoich.:

A2B3C18D31 (2)

Weight, g/mol:

928.279804

ΔHf, kcal/mol:

238.22

Dipole, Da:

1.37

IP(EA), eV:

 -8.13(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-cyano-4,6-di(phenoxazin-10-yl)phenyl]-3,5-di(phenoxazin-10-yl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=CC=CC=C3O2)C4=CC(=CC(=C4N5C6=CC=CC=C6OC7=CC=CC=C75)C8=C(C(=CC(=C8)C#N)N9C1=CC=CC=C1OC1=CC=CC=C19)N1C2=CC=CC=C2OC2=CC=CC=C21)C#N

DOS

IR

Vibrations