Geometry & MOs

Info

ID:	360373
PubChem CID:	127301018
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	372.136845
ΔH_f, kcal/mol:	-35.17
Dipole, Da:	5.82
IP(EA), eV:	-8.68(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OCC(=O)N4CCCC(C4)N5C=NC=N5

DOS

IR

Vibrations