Geometry & MOs

Info

ID:

325492

PubChem CID:

126683588

Reduced:

O2N9C25H25 (1)

Stoich.:

A2B9C25D25 (1)

Weight, g/mol:

487.234331

ΔHf, kcal/mol:

205.52

Dipole, Da:

4.66

IP(EA), eV:

 -8.71(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(4-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=C3C=NC=NC3=NN2)C4=NC(=NC(=C4)C(=O)NC56CC=C5C6)OC[C@H]7C[C@H]7C#N

DOS

IR

Vibrations