Geometry & MOs

Info

ID:	298416
PubChem CID:	117649353
Reduced:	N3H35C54 (1)
Stoich.:	A3B35C54 (1)
Weight, g/mol:	725.283098
ΔH_f, kcal/mol:	245.06
Dipole, Da:	1.02
IP(EA), eV:	-8.11(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=CC(=C4)N5C6=CC=CC=C6C7=C5C=C(C=C7)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations