Geometry & MOs

Info

ID:	365660
PubChem CID:	127318381
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	306.078662
ΔH_f, kcal/mol:	-97.8
Dipole, Da:	3.85
IP(EA), eV:	-9.42(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CC(CC2=O)C3=NC(=NO3)C4CCOCC4

DOS

IR

Vibrations