Geometry & MOs

Info

ID:	262889
PubChem CID:	103327291
Reduced:	OSN4C15H22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	307.183067
ΔH_f, kcal/mol:	-28.66
Dipole, Da:	3.6
IP(EA), eV:	-8.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-N-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)N)NC3(CCCCC3)CO

DOS

IR

Vibrations