Geometry & MOs

Info

ID:

191262

PubChem CID:

78123944

Reduced:

ClN2O2H10C12 (2)

Stoich.:

AB2C2D10E12 (2)

Weight, g/mol:

425.105129

ΔHf, kcal/mol:

11.94

Dipole, Da:

5.42

IP(EA), eV:

 -9.88(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

cyclopenta-1,3-diene;N-(cyclopenta-1,3-dien-1-ylmethylideneamino)-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;iron(2+)

Drug info:

PubChemData

Smile

CC1(COC(=O)C12C(=O)C3CC(C3(O2)C4=CC=CC=C4)CN5C=NC6=C5C(=NC(=N6)Cl)Cl)C=C

DOS

IR

Vibrations