Geometry & MOs

Info

ID:	262881
PubChem CID:	103326353
Reduced:	OSN5C11H15 (1)
Stoich.:	ABC5D11E15 (1)
Weight, g/mol:	261.104817
ΔH_f, kcal/mol:	2.07
Dipole, Da:	4.7
IP(EA), eV:	-8.57(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)N)C1=C2C=CSC2=NC(=N1)N

DOS

IR

Vibrations