Geometry & MOs

Info

ID:	442532
PubChem CID:	135252710
Reduced:	OF3N3H26C43 (1)
Stoich.:	AB3C3D26E43 (1)
Weight, g/mol:	733.225308
ΔH_f, kcal/mol:	12.52
Dipole, Da:	5.43
IP(EA), eV:	-8.25(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-6-[2-[4-(9H-xanthen-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-7-yl]chromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)C5=CC6=C(C=C5)N(C7=C6C=CC=N7)C8=CC=C(C=C8)C9=CC=C(C=C9)C(=O)C(F)(F)F

DOS

IR

Vibrations