Geometry & MOs

Info

ID:

325531

PubChem CID:

126683795

Reduced:

O3N9C25H29 (1)

Stoich.:

A3B9C25D29 (1)

Weight, g/mol:

460.223432

ΔHf, kcal/mol:

50.33

Dipole, Da:

4.87

IP(EA), eV:

 -9.03(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(5-amino-6-formylpyridin-2-yl)piperidin-1-yl]-2-(2-fluoropropoxy)-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=C)NC(=O)C1=NC(=NC(=N1)OC[C@H]2C[C@H]2C#N)N3CCC(CC3)C4=C5C(=CC=NC5=NN4)OC

DOS

IR

Vibrations