Geometry & MOs

Info

ID:	59890
PubChem CID:	24902257
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	164.033425
ΔH_f, kcal/mol:	-177.42
Dipole, Da:	5.69
IP(EA), eV:	-9.01(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-pyrimidin-5-yl-3H-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

C1COCC1C(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations