Geometry & MOs

Info

ID:	6558
PubChem CID:	68875
Reduced:	O4N5C12H13 (1)
Stoich.:	A4B5C12D13 (1)
Weight, g/mol:	291.096754
ΔH_f, kcal/mol:	-57.49
Dipole, Da:	9.66
IP(EA), eV:	-9.58(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-oxo-[1,2,4]oxadiazolo[2,3-a]pyrimidin-7-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC1=CC(=NC2=NC(=O)ON12)N3CCC=CC3

DOS

IR

Vibrations