Geometry & MOs

Info

ID:	285430
PubChem CID:	104104351
Reduced:	ClNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	279.067762
ΔH_f, kcal/mol:	-111.99
Dipole, Da:	7.24
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-(oxazinane-2-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C(=O)N2CCCCO2)Cl)OC

DOS

IR

Vibrations