Geometry & MOs

Info

ID:	315597
PubChem CID:	126628065
Reduced:	BrNH28C42 (1)
Stoich.:	ABC28D42 (1)
Weight, g/mol:	635.20328
ΔH_f, kcal/mol:	180.25
Dipole, Da:	3.18
IP(EA), eV:	-8.2(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)N4C5=CC=CC=C5C6=C4C=C(C=C6)C7=CC=CC=C7C8=CC=C(C=C8)Br

DOS

IR

Vibrations