Geometry & MOs

Info

ID:	262991
PubChem CID:	103332963
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	366.97902
ΔH_f, kcal/mol:	-17.36
Dipole, Da:	2.9
IP(EA), eV:	-8.45(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-5-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)N)OCC3CCCC3

DOS

IR

Vibrations