Geometry & MOs

Info

ID:

448056

PubChem CID:

135288040

Reduced:

ON9C29H31 (1)

Stoich.:

AB9C29D31 (1)

Weight, g/mol:

503.218206

ΔHf, kcal/mol:

137.87

Dipole, Da:

6.71

IP(EA), eV:

 -8.09(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CCCC7)/C=C23

DOS

IR

Vibrations