Geometry & MOs

Info

ID:

325551

PubChem CID:

126683915

Reduced:

O4N8C25H40 (1)

Stoich.:

A4B8C25D40 (1)

Weight, g/mol:

504.259737

ΔHf, kcal/mol:

-128.87

Dipole, Da:

6.38

IP(EA), eV:

 -8.38(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(5-amino-6-carbamoylpyridin-2-yl)piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-cyclopentylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CN(C)C)NC(C1=CC(=NC(=N1)O[C@H](C)COC)N2CCC(CC2)C3=NC(=C(C=C3)N)C(=O)N)O

DOS

IR

Vibrations