Geometry & MOs

Info

ID:	325383
PubChem CID:	126683013
Reduced:	N3H29C47 (1)
Stoich.:	A3B29C47 (1)
Weight, g/mol:	964.356597
ΔH_f, kcal/mol:	340.14
Dipole, Da:	4.42
IP(EA), eV:	-8.22(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-carbazol-9-yl-9-[10-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=C/C/5=C/6\C=CC=C\C6=C\7/C=CC=C/C7=C/8\C=CC=C\C8=C5/C=C4)C=CC(=C3)N9C1=C(C2=CC=CC=C29)N=CC=C1

DOS

IR

Vibrations