Geometry & MOs

Info

ID:	262882
PubChem CID:	103326370
Reduced:	SN5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	301.136117
ΔH_f, kcal/mol:	77.08
Dipole, Da:	2.97
IP(EA), eV:	-8.44(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropyl-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile

Drug info:

PubChemData

Smile

CCN(CCC#N)C1=C2C=CSC2=NC(=N1)NC

DOS

IR

Vibrations