Geometry & MOs

Info

ID:	445083
PubChem CID:	135264508
Reduced:	NH6C9 (4)
Stoich.:	AB6C9 (4)
Weight, g/mol:	513.195346
ΔH_f, kcal/mol:	194.53
Dipole, Da:	2.72
IP(EA), eV:	-8.01(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dipyridin-2-ylpyridin-4-yl)-10-phenylpyrrolo[3,2-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)N(C=C5)C6=CC(=CC(=C6)C7=CN=CC=C7)C8=CN=CC=C8

DOS

IR

Vibrations