Geometry & MOs

Info

ID:	79121
PubChem CID:	49746904
Reduced:	O2N5H15C20 (1)
Stoich.:	A2B5C15D20 (1)
Weight, g/mol:	333.122575
ΔH_f, kcal/mol:	102.86
Dipole, Da:	4.0
IP(EA), eV:	-9.19(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-phenyl-1-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=CC=CC3=CC=CC=C32)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations