Geometry & MOs

Info

ID:	262879
PubChem CID:	103325867
Reduced:	SN5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	302.100146
ΔH_f, kcal/mol:	36.65
Dipole, Da:	3.09
IP(EA), eV:	-8.31(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-(2-fluorophenyl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)N)NC3CCN(C3)C

DOS

IR

Vibrations