Geometry & MOs

Info

ID:	262820
PubChem CID:	103320416
Reduced:	ClSN3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	318.070595
ΔH_f, kcal/mol:	43.22
Dipole, Da:	6.14
IP(EA), eV:	-8.72(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=C3C=CSC3=NC(=N2)Cl

DOS

IR

Vibrations