Geometry & MOs

Info

ID:	262969
PubChem CID:	103331558
Reduced:	OSN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	267.104148
ΔH_f, kcal/mol:	28.55
Dipole, Da:	3.74
IP(EA), eV:	-8.47(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]oxyethanol

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OC2=C3C=CSC3=NC(=N2)NCC

DOS

IR

Vibrations