Geometry & MOs

Info

ID:

444188

PubChem CID:

135261619

Reduced:

ClO6N8C41H49 (1)

Stoich.:

AB6C8D41E49 (1)

Weight, g/mol:

407.120467

ΔHf, kcal/mol:

-168.0

Dipole, Da:

4.16

IP(EA), eV:

 -8.88(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-5-(4-methylpyridin-3-yl)-3-(4-thiophen-3-ylindol-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CN=C(C=C3)N4CCN(CC4)CCCCCOC5=CN=C(C=C5)C(=O)NC6CCC(=O)NC6=O)C

DOS

IR

Vibrations