Geometry & MOs

Info

ID:	180788
PubChem CID:	76685863
Reduced:	OC50H72 (1)
Stoich.:	AB50C72 (1)
Weight, g/mol:	591.07838
ΔH_f, kcal/mol:	-85.14
Dipole, Da:	1.95
IP(EA), eV:	-8.09(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-(2,4-difluorobenzene-6-id-1-yl)-N-methylpyridin-4-amine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium

Drug info:

PubChemData

Smile

CCCCCCCCC1(C2=C(C=CC(=C2)C)C3=C1C=C(C=C3)C=CC4=CC(=C(C=C4C)C=CC)OCC(CC)CCCC)CCCCCCCC

DOS

IR

Vibrations