Geometry & MOs

Info

ID:

308901

PubChem CID:

126531819

Reduced:

ON8H20C27 (1)

Stoich.:

AB8C20D27 (1)

Weight, g/mol:

452.153164

ΔHf, kcal/mol:

205.89

Dipole, Da:

6.87

IP(EA), eV:

 -8.57(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C/5\C=C6C(=N5)C=CN=C6C7=CC=CC=N7

DOS

IR

Vibrations