Geometry & MOs

Info

ID:

325104

PubChem CID:

126680726

Reduced:

F2O3N9C29H35 (1)

Stoich.:

A2B3C9D29E35 (1)

Weight, g/mol:

559.301936

ΔHf, kcal/mol:

-58.8

Dipole, Da:

7.54

IP(EA), eV:

 -8.46(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[2-amino-5-(1-methylimidazol-4-yl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-6-[(1-ethynylcyclopropyl)methoxy]-N-(2-methylpropyl)-1,3,5-triazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(C)(F)F)NC(=O)C1=NC(=NC(=N1)OCC2(CC2)C#C)N3CCC(CC3)COC4=C(N=CC(=C4)C5=CN(C=N5)C)N

DOS

IR

Vibrations