Geometry & MOs

Info

ID:

426575

PubChem CID:

135150325

Reduced:

ON4C13H13 (2)

Stoich.:

AB4C13D13 (2)

Weight, g/mol:

440.170922

ΔHf, kcal/mol:

76.21

Dipole, Da:

10.22

IP(EA), eV:

 -8.62(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyridin-2-yl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN3C(=C(C=N3)C#N)C(=C2)C4=CN=C(C=C4)N5CCC6(CC5)CCN(C6)C(=O)O

DOS

IR

Vibrations