Geometry & MOs

Info

ID:	79147
PubChem CID:	49747095
Reduced:	O4N6H18C19 (1)
Stoich.:	A4B6C18D19 (1)
Weight, g/mol:	404.120858
ΔH_f, kcal/mol:	6.44
Dipole, Da:	2.7
IP(EA), eV:	-8.38(-1.39)
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-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)NC(=O)CN3CC(C3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations