Geometry & MOs

Info

ID:	442519
PubChem CID:	135252606
Reduced:	N5H17C32 (1)
Stoich.:	A5B17C32 (1)
Weight, g/mol:	788.206839
ΔH_f, kcal/mol:	240.93
Dipole, Da:	3.22
IP(EA), eV:	-8.55(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-bis(2-phenyl-1-benzothiophen-5-yl)-9-(4-pyrido[2,3-d]pyridazin-3-ylphenyl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC=C(C=C5)C6=C(C=C(C=C6C#N)C#N)C#N)N=CC=C3

DOS

IR

Vibrations