Geometry & MOs

Info

ID:

309043

PubChem CID:

126535325

Reduced:

ON8H28C30 (1)

Stoich.:

AB8C28D30 (1)

Weight, g/mol:

428.116778

ΔHf, kcal/mol:

181.87

Dipole, Da:

10.51

IP(EA), eV:

 -8.5(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-methyl-4-[(3Z)-3-(7-thiophen-3-ylimidazo[4,5-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CC(=C6)CN7CCCCC7)NN4)/N=C23

DOS

IR

Vibrations