Geometry & MOs

Info

ID:	442526
PubChem CID:	135252698
Reduced:	OSN4H26C49 (1)
Stoich.:	ABC4D26E49 (1)
Weight, g/mol:	613.226646
ΔH_f, kcal/mol:	255.45
Dipole, Da:	2.27
IP(EA), eV:	-8.29(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-carbazol-9-ylphenyl)-9-[4-(1,8-naphthyridin-4-yl)phenyl]pyrido[3,4-b]indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)OC6=C5C=C(C=C6)C7=CC=C(C=C7)C8=C(C=C(C=C8C#N)C9=C1C2=CC=CC=C2SC1=NC=C9)C#N

DOS

IR

Vibrations