Geometry & MOs

Info

ID:	79148
PubChem CID:	49747096
Reduced:	O2F3N6H15C18 (1)
Stoich.:	A2B3C6D15E18 (1)
Weight, g/mol:	404.120858
ΔH_f, kcal/mol:	-80.27
Dipole, Da:	2.54
IP(EA), eV:	-9.41(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1CC(=O)NC2=CC=CC=C2C(F)(F)F)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations