Geometry & MOs

Info

ID:

325552

PubChem CID:

126683933

Reduced:

O3N8C26H32 (1)

Stoich.:

A3B8C26D32 (1)

Weight, g/mol:

481.243753

ΔHf, kcal/mol:

-33.45

Dipole, Da:

3.92

IP(EA), eV:

 -8.79(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S)-1-cyclopropylethoxy]-N-(2-hydroxyethyl)-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=NC(=N2)OCC3(CC3)C#N)N4CCC(CC4)C5=NC(=C(C=C5)N)C(=O)N

DOS

IR

Vibrations