Geometry & MOs

Info

ID:	298409
PubChem CID:	117649338
Reduced:	O2N3H35C50 (1)
Stoich.:	A2B3C35D50 (1)
Weight, g/mol:	765.314398
ΔH_f, kcal/mol:	143.94
Dipole, Da:	3.66
IP(EA), eV:	-7.73(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)OC)C7=CC8=C(C=C7)C9=CC=CC=C9N8C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations