Geometry & MOs

Info

ID:	365841
PubChem CID:	127318781
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	-40.58
Dipole, Da:	7.11
IP(EA), eV:	-9.05(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-[3-oxo-3-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CNN=C2)C(=O)C3CCCN(C3)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations