Geometry & MOs

Info

ID:	289316
PubChem CID:	104344987
Reduced:	OSF2N3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	229.088498
ΔH_f, kcal/mol:	-78.15
Dipole, Da:	2.93
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]sulfanylethanol

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)SC2=C(C=CC(=C2)F)F)NC

DOS

IR

Vibrations