Geometry & MOs

Info

ID:	327531
PubChem CID:	126690257
Reduced:	N2S2C9H16 (1)
Stoich.:	A2B2C9D16 (1)
Weight, g/mol:	585.220498
ΔH_f, kcal/mol:	9.57
Dipole, Da:	2.93
IP(EA), eV:	-8.97(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole-2-carbonitrile

Drug info:

PubChemData

Smile

CCCCN1C(=S)CN(C1=S)CC

DOS

IR

Vibrations