Geometry & MOs

Info

ID:	182872
PubChem CID:	76947972
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-4.22
Dipole, Da:	1.71
IP(EA), eV:	-9.3(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidine-4-carbaldehyde

Drug info:

PubChemData

Smile

C1CCN(C(C1)C=O)CC2=NC(=O)C3C(=N2)C=CS3

DOS

IR

Vibrations