Geometry & MOs

Info

ID:	316225
PubChem CID:	126630417
Reduced:	NH18C27 (2)
Stoich.:	AB18C27 (2)
Weight, g/mol:	663.267448
ΔH_f, kcal/mol:	226.07
Dipole, Da:	1.8
IP(EA), eV:	-7.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(9-methylcarbazol-2-yl)-9-phenyl-8-(9-phenylcarbazol-2-yl)carbazole

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=CC(=C5)C6=CC7=C(C=C6)C(C8=CC=CC=C87)C9=CC=CC=C9)C2=CC=CC=C2)C2=CC3=CC=CC=C3C=C21

DOS

IR

Vibrations