Geometry & MOs

Info

ID:	376543
PubChem CID:	134222561
Reduced:	N3C12H19 (1)
Stoich.:	A3B12C19 (1)
Weight, g/mol:	778.222489
ΔH_f, kcal/mol:	32.15
Dipole, Da:	1.98
IP(EA), eV:	-8.4(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[9-dibenzothiophen-3-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]cyclohept-5-en-2-yn-1-yl]benzenethiol

Drug info:

PubChemData

Smile

CC(C)C1=NNC2=C1CCN(C2)C(=C)C

DOS

IR

Vibrations