Geometry & MOs

Info

ID:	210425
PubChem CID:	80804512
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	227.118238
ΔH_f, kcal/mol:	1.08
Dipole, Da:	4.24
IP(EA), eV:	-8.44(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-N-ethylacetamide

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC=N1)NC2=CC(=CC=C2)OCC

DOS

IR

Vibrations