Geometry & MOs

Info

ID:	327843
PubChem CID:	126691150
Reduced:	ON6H20C21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	649.243936
ΔH_f, kcal/mol:	93.65
Dipole, Da:	4.01
IP(EA), eV:	-9.53(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]dibenzothiophen-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CN5C=CC=N5

DOS

IR

Vibrations