Geometry & MOs

Info

ID:	377129
PubChem CID:	134223167
Reduced:	SN3O8C52H69 (1)
Stoich.:	AB3C8D52E69 (1)
Weight, g/mol:	577.204179
ΔH_f, kcal/mol:	-265.99
Dipole, Da:	5.95
IP(EA), eV:	-8.16(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole

Drug info:

PubChemData

Smile

CCCCCCN(C1=NC2=CC=CC=C2S1)/N=C/C3=C(C=CC(=C3)C4CCC(CC4)CCC)OCC5CCC(CC5)C(=O)OC6=CC=C(C=C6)OCCOCCOCCOC(=O)C=C

DOS

IR

Vibrations