Geometry & MOs

Info

ID:	79150
PubChem CID:	49747099
Reduced:	ClO2F3N6H14C18 (1)
Stoich.:	AB2C3D6E14F18 (1)
Weight, g/mol:	302.149124
ΔH_f, kcal/mol:	-89.69
Dipole, Da:	4.35
IP(EA), eV:	-9.43(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations