Geometry & MOs

Info

ID:

446258

PubChem CID:

135273578

Reduced:

N3H22C33 (2)

Stoich.:

A3B22C33 (2)

Weight, g/mol:

1168.425346

ΔHf, kcal/mol:

322.57

Dipole, Da:

1.2

IP(EA), eV:

 -8.25(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-cyano-2-(2-phenylcarbazol-9-yl)-4-(3-phenylcarbazol-9-yl)phenyl]-2,4-bis(3-phenylcarbazol-9-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC(=C(C=C4C#N)N5C6=C(C=C(C=C6)C)C7=CC=CC=C75)C8=C(C=C(C(=C8)N9C1=C(C=C(C=C1)C)C1=CC=CC=C19)C#N)N1C2=C(C=C(C=C2)C)C2=CC=CC=C21

DOS

IR

Vibrations