Geometry & MOs

Info

ID:	365623
PubChem CID:	127318344
Reduced:	O2N5C15H17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	312.133474
ΔH_f, kcal/mol:	34.83
Dipole, Da:	2.98
IP(EA), eV:	-8.9(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=NN12)C3=NOC(=N3)C4CCCOC4)C

DOS

IR

Vibrations