Geometry & MOs

Info

ID:	79114
PubChem CID:	49746835
Reduced:	O2N7H17C20 (1)
Stoich.:	A2B7C17D20 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	121.98
Dipole, Da:	5.04
IP(EA), eV:	-9.63(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CC(C3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations