Geometry & MOs

Info

ID:	183331
PubChem CID:	77008944
Reduced:	O2N3C9H13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	324.09662
ΔH_f, kcal/mol:	-53.28
Dipole, Da:	4.17
IP(EA), eV:	-9.74(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyclopentyloxyethyl)-5,6-dimethyl-2-sulfanylidene-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COCC1=NC(=O)C2CCCN=C2N1

DOS

IR

Vibrations