Geometry & MOs

Info

ID:

297120

PubChem CID:

117609790

Reduced:

O2F3N6H19C21 (1)

Stoich.:

A2B3C6D19E21 (1)

Weight, g/mol:

558.220238

ΔHf, kcal/mol:

-129.27

Dipole, Da:

2.94

IP(EA), eV:

 -9.01(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC(=O)C2=CC(=NC=C2)C(F)(F)F)C3=CN=CC(=N3)N4CCOCC4

DOS

IR

Vibrations