Geometry & MOs

Info

ID:	298415
PubChem CID:	117649352
Reduced:	N3H31C48 (1)
Stoich.:	A3B31C48 (1)
Weight, g/mol:	725.283098
ΔH_f, kcal/mol:	222.33
Dipole, Da:	3.36
IP(EA), eV:	-8.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,9-diphenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5C7=CC8=C(C=C7)C9=CC=CC=C9N8C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations