Geometry & MOs

Info

ID:

315591

PubChem CID:

126628037

Reduced:

N2H56C83 (1)

Stoich.:

A2B56C83 (1)

Weight, g/mol:

635.20328

ΔHf, kcal/mol:

351.95

Dipole, Da:

1.57

IP(EA), eV:

 -7.91(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[2,4-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[2-(2-bromophenyl)phenyl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC(=C(C=C3)C4=CC=CC=C4C5=CC6=C(C=C5)C7=CC=CC=C7N6C8=CC=CC=C8)C9=CC1=C(C=CC(=C1)C1=CC=CC=C1)C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations