Geometry & MOs

Info

ID:	200951
PubChem CID:	79466047
Reduced:	ON2F3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	-164.27
Dipole, Da:	6.41
IP(EA), eV:	-9.7(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-thieno[3,2-d]pyrimidin-4-yloxycyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CC(CC(C1)OC2=CC(=C(C=C2)C#N)C(F)(F)F)N

DOS

IR

Vibrations