Geometry & MOs

Info

ID:	126601
PubChem CID:	50969629
Reduced:	ON7C20H25 (1)
Stoich.:	AB7C20D25 (1)
Weight, g/mol:	346.155352
ΔH_f, kcal/mol:	62.22
Dipole, Da:	10.75
IP(EA), eV:	-8.86(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCN2C(=CC(=N2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C#N)C1

DOS

IR

Vibrations