Geometry & MOs

Info

ID:	79169
PubChem CID:	49747207
Reduced:	O2F3N6H13C17 (1)
Stoich.:	A2B3C6D13E17 (1)
Weight, g/mol:	390.105208
ΔH_f, kcal/mol:	-82.39
Dipole, Da:	6.28
IP(EA), eV:	-9.57(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1C(=O)NC2=CC=C(C=C2)C(F)(F)F)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations