Geometry & MOs

Info

ID:	125103
PubChem CID:	50909764
Reduced:	FeCl2H2O8 (1)
Stoich.:	AB2C2D8 (1)
Weight, g/mol:	353.156184
ΔH_f, kcal/mol:	-159.13
Dipole, Da:	4.53
IP(EA), eV:	-11.45(-2.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(4-ethoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

OCl(=O)(=O)=O.OCl(=O)(=O)=O.[Fe]

DOS

IR

Vibrations