Geometry & MOs

Info

ID:	262956
PubChem CID:	103331249
Reduced:	OSN3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	-40.89
Dipole, Da:	3.16
IP(EA), eV:	-8.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(C)OC1=C2C=C(SC2=NC(=N1)N)CC

DOS

IR

Vibrations