Geometry & MOs

Info

ID:	436849
PubChem CID:	135212259
Reduced:	FON4C9H9 (1)
Stoich.:	ABC4D9E9 (1)
Weight, g/mol:	549.184112
ΔH_f, kcal/mol:	6.31
Dipole, Da:	5.19
IP(EA), eV:	-8.77(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2F)C=O)/C(=N/N)/N1N

DOS

IR

Vibrations