Geometry & MOs

Info

ID:

325555

PubChem CID:

126683953

Reduced:

FO3N7C25H32 (1)

Stoich.:

AB3C7D25E32 (1)

Weight, g/mol:

489.269967

ΔHf, kcal/mol:

-54.04

Dipole, Da:

0.25

IP(EA), eV:

 -9.12(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-6-[1-[6-[hydroxy-(2-methoxyethylamino)methyl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C1=C(NN=C1N=C)C2CCN(CC2)C3=NC(=NC(=C3)C(=O)N4CC(C4)F)OC[C@H]5CCCO5

DOS

IR

Vibrations