Geometry & MOs

Info

ID:	262966
PubChem CID:	103331526
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-48.77
Dipole, Da:	3.22
IP(EA), eV:	-8.37(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-diethyl-4-(oxolan-2-ylmethoxy)thieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)NC)OCC3CCCO3

DOS

IR

Vibrations