Geometry & MOs

Info

ID:

325548

PubChem CID:

126683911

Reduced:

O4N7C27H37 (1)

Stoich.:

A4B7C27D37 (1)

Weight, g/mol:

557.332568

ΔHf, kcal/mol:

-98.35

Dipole, Da:

6.49

IP(EA), eV:

 -8.7(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[6-[amino(hydroxy)methyl]-3-[2-(dimethylamino)ethoxy]pyridin-2-yl]piperidin-1-yl]-N-cyclobutyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCN(C1)C(=O)C2=CC(=NC(=N2)OC[C@H]3CCCO3)N4CCC(CC4)C5=NC(=C(C=C5)N)C(=C)N

DOS

IR

Vibrations