Geometry & MOs

Info

ID:	326728
PubChem CID:	126688099
Reduced:	ISN2H11C20 (1)
Stoich.:	ABC2D11E20 (1)
Weight, g/mol:	491.188529
ΔH_f, kcal/mol:	139.8
Dipole, Da:	4.32
IP(EA), eV:	-8.71(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzo[b]oxanthren-3-yl-3-[(1Z)-buta-1,3-dienyl]-2-methyl-1-phenylindole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)I)C3=CC4=C(C=C3)SC5=CC=CC=C54

DOS

IR

Vibrations