Geometry & MOs

Info

ID:	325139
PubChem CID:	126681376
Reduced:	O2N4H30C49 (1)
Stoich.:	A2B4C30D49 (1)
Weight, g/mol:	475.157229
ΔH_f, kcal/mol:	194.49
Dipole, Da:	0.89
IP(EA), eV:	-8.45(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-benzo[b]oxanthren-3-ylphenyl)-9H-carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=C(C=C(C=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)OC8=CC9=CC=CC=C9C=C8O7)C1=CC=CC=C13)C1=CC=CC=C1

DOS

IR

Vibrations