Geometry & MOs

Info

ID:	79119
PubChem CID:	49746884
Reduced:	ClO2N5H12C16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	371.078517
ΔH_f, kcal/mol:	77.28
Dipole, Da:	3.81
IP(EA), eV:	-9.9(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-methoxyphenyl)-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=CC=CC=C2Cl)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations