Geometry & MOs

Info

ID:	311219
PubChem CID:	126589938
Reduced:	ON3H35C55 (1)
Stoich.:	AB3C35D55 (1)
Weight, g/mol:	612.256549
ΔH_f, kcal/mol:	238.31
Dipole, Da:	3.32
IP(EA), eV:	-8.06(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-phenyl-3-[6-(9-phenyl-2,3-dihydrocarbazol-3-yl)naphthalen-2-yl]carbazole

Drug info:

PubChemData

Smile

C1C(C=CC=C1N2C3=C(C=C(C=C3)C4=CC=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C9=C2C=CC(=C9)C1=CC=CC2=C1OC1=CC=CC=C21)C#N

DOS

IR

Vibrations