Geometry & MOs

Info

ID:	79157
PubChem CID:	49747147
Reduced:	ClON5H14C16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	341.112404
ΔH_f, kcal/mol:	112.09
Dipole, Da:	3.41
IP(EA), eV:	-9.48(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

C1C(CN1CC2=CC=C(C=C2)Cl)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations