Geometry & MOs

Info

ID:	270214
PubChem CID:	103634942
Reduced:	FN3C11H18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	227.107005
ΔH_f, kcal/mol:	-42.03
Dipole, Da:	3.36
IP(EA), eV:	-8.97(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]propanoate

Drug info:

PubChemData

Smile

CCC(C(C)C)NC1=NC=NC(=C1F)C

DOS

IR

Vibrations