Geometry & MOs

Info

ID:

448133

PubChem CID:

135288690

Reduced:

N5C14H16 (2)

Stoich.:

A5B14C16 (2)

Weight, g/mol:

489.202556

ΔHf, kcal/mol:

194.07

Dipole, Da:

5.35

IP(EA), eV:

 -8.13(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-(4-pyridin-4-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]pentanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN=CC(=C6)CN7CCCCC7)NN4)/N=C32

DOS

IR

Vibrations