Geometry & MOs

Info

ID:	272438
PubChem CID:	103743077
Reduced:	ON2F3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	291.140533
ΔH_f, kcal/mol:	-188.42
Dipole, Da:	4.9
IP(EA), eV:	-9.03(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNC2=CC=CC(=N2)C(F)(F)F

DOS

IR

Vibrations