Geometry & MOs

Info

ID:	355422
PubChem CID:	127288485
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	344.105545
ΔH_f, kcal/mol:	7.84
Dipole, Da:	5.65
IP(EA), eV:	-9.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

C1CC(CN(C1)C(=O)CCC2=NC3=CC=CC=C3O2)N4C=NC=N4

DOS

IR

Vibrations