Geometry & MOs

Info

ID:

325549

PubChem CID:

126683912

Reduced:

O5N7C28H43 (1)

Stoich.:

A5B7C28D43 (1)

Weight, g/mol:

504.23975

ΔHf, kcal/mol:

-155.65

Dipole, Da:

9.23

IP(EA), eV:

 -8.77(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[(3R,4S)-3-fluoro-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1-methylcyclobutyl)pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](COC)OC1=NC(=CC(=N1)N2CCC(CC2)C3=C(C=CC(=N3)C(N)O)OCCN(C)C)C(=O)NC4CCC4

DOS

IR

Vibrations