Geometry & MOs

Info

ID:	33233
PubChem CID:	7885548
Reduced:	ClN3O5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-169.58
Dipole, Da:	7.36
IP(EA), eV:	-9.31(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl

DOS

IR

Vibrations