Geometry & MOs

Info

ID:	442690
PubChem CID:	135255782
Reduced:	BrFO3N7C13H15 (1)
Stoich.:	ABC3D7E13F15 (1)
Weight, g/mol:	940.331445
ΔH_f, kcal/mol:	36.4
Dipole, Da:	3.22
IP(EA), eV:	-9.02(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[10-[5-(3-cyanophenyl)-6-phenylindolo[2,3-b]indol-4-yl]anthracen-9-yl]-6-phenylindolo[2,3-b]indol-5-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N/C(=C\2/C(=NON2)NC(=NCCCO)N)/N=O)Br)F

DOS

IR

Vibrations