Geometry & MOs

Info

ID:	262948
PubChem CID:	103330746
Reduced:	SO2N4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-41.53
Dipole, Da:	2.23
IP(EA), eV:	-8.43(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]oxan-4-ol

Drug info:

PubChemData

Smile

CNC1=NC(=C2C=CSC2=N1)N(C)CC3(CCOCC3)O

DOS

IR

Vibrations