Geometry & MOs

Info

ID:	262987
PubChem CID:	103332814
Reduced:	OSN3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	366.97902
ΔH_f, kcal/mol:	-28.66
Dipole, Da:	3.06
IP(EA), eV:	-8.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCCC(C1)OC2=C3C=C(SC3=NC(=N2)N)C

DOS

IR

Vibrations