Geometry & MOs

Info

ID:	79141
PubChem CID:	49747078
Reduced:	FO2N6H15C17 (1)
Stoich.:	AB2C6D15E17 (1)
Weight, g/mol:	404.055529
ΔH_f, kcal/mol:	32.97
Dipole, Da:	3.9
IP(EA), eV:	-9.04(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-2-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1C(CN1CC(=O)NC2=CC=C(C=C2)F)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations