Geometry & MOs

Info

ID:

132860

PubChem CID:

51433656

Reduced:

NO6C25H28 (1)

Stoich.:

AB6C25D28 (1)

Weight, g/mol:

627.248164

ΔHf, kcal/mol:

-162.57

Dipole, Da:

6.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.771465

Charge, e:

 1

Chem-info

IUPAC name:

[[(2Z)-2-[[9-[(Z)-[(C,N-dipyridin-2-ylcarbonimidoyl)hydrazinylidene]methyl]-1,10-phenanthrolin-2-yl]methylidene]hydrazinyl]-pyridin-2-ylmethylidene]-pyridin-2-ylazanium

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2C[C@H]3CCCO3)[O-])C(=O)C4=CC=C(O4)C

DOS

IR

Vibrations