Geometry & MOs

Info

ID:	316221
PubChem CID:	126630412
Reduced:	N3H35C53 (1)
Stoich.:	A3B35C53 (1)
Weight, g/mol:	712.287849
ΔH_f, kcal/mol:	234.61
Dipole, Da:	0.74
IP(EA), eV:	-7.82(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC6=CC=CC=C6C=C54)C7=CC=CC=C7)C8=C1C=C(C=C8)C9=CC1=C(C=C9)C2=CC=CC=C2N1C1=CC=CC=C1

DOS

IR

Vibrations