Geometry & MOs

Info

ID:	299861
PubChem CID:	117720842
Reduced:	BrClO3N4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	692.257612
ΔH_f, kcal/mol:	-73.37
Dipole, Da:	6.16
IP(EA), eV:	-8.37(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-[9-(5,5-dimethylindeno[1,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine

Drug info:

PubChemData

Smile

CCN1C(=C(N=C1Br)C(C2=CC=C(C=C2)Cl)NC3=CN(C(=O)C(=C3)C)C)C(=O)O

DOS

IR

Vibrations