Geometry & MOs

Info

ID:	310576
PubChem CID:	126582599
Reduced:	NOC13H29 (1)
Stoich.:	ABC13D29 (1)
Weight, g/mol:	566.18167
ΔH_f, kcal/mol:	-91.32
Dipole, Da:	1.37
IP(EA), eV:	-8.32(2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-carbazol-9-yl-2-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-3-yl)benzonitrile

Drug info:

PubChemData

Smile

CCCCC(CN(CC)CC)OC(C)C

DOS

IR

Vibrations