Geometry & MOs

Info

ID:	163568
PubChem CID:	58036450
Reduced:	BIrN4H24C32 (1)
Stoich.:	ABC4D24E32 (1)
Weight, g/mol:	625.30777
ΔH_f, kcal/mol:	267.38
Dipole, Da:	26.89
IP(EA), eV:	-9.51(-5.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[6-[fluoro-bis[6-[2-(methylamino)anilino]pyridin-2-yl]methyl]pyridin-2-yl]-1-N-methylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

[B]1N(CCN1C2=NC=C(C=C2)C3=CC=CC4=CC=CC=C43)C5=NC=C(C=C5)C6=CC=CC7=CC=CC=C76.[Ir]

DOS

IR

Vibrations