Geometry & MOs

Info

ID:	325137
PubChem CID:	126681328
Reduced:	NO2H23C36 (1)
Stoich.:	AB2C23D36 (1)
Weight, g/mol:	640.215078
ΔH_f, kcal/mol:	95.13
Dipole, Da:	1.94
IP(EA), eV:	-8.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzo[b]oxanthren-3-yl-9-(9-phenylcarbazol-2-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)OC7=CC=CC=C7O6)C8=CC=CC=C83

DOS

IR

Vibrations