Geometry & MOs

Info

ID:	290116
PubChem CID:	104410496
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	283.144453
ΔH_f, kcal/mol:	-27.66
Dipole, Da:	2.83
IP(EA), eV:	-9.09(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CCNC1=CC(=NC=N1)NC(C)C(=O)N2CCCC2

DOS

IR

Vibrations