Geometry & MOs

Info

ID:	262859
PubChem CID:	103323399
Reduced:	OSN4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	295.089167
ΔH_f, kcal/mol:	29.31
Dipole, Da:	4.27
IP(EA), eV:	-8.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)N)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations