Geometry & MOs

Info

ID:	262895
PubChem CID:	103327639
Reduced:	SF3N4C10H11 (1)
Stoich.:	AB3C4D10E11 (1)
Weight, g/mol:	305.167417
ΔH_f, kcal/mol:	-126.49
Dipole, Da:	2.24
IP(EA), eV:	-8.56(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)N)NCCC(F)(F)F

DOS

IR

Vibrations