Geometry & MOs

Info

ID:	79129
PubChem CID:	49747025
Reduced:	BrFON5H13C16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	77.56
Dipole, Da:	1.14
IP(EA), eV:	-9.71(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(2,3-dimethoxyphenyl)methyl]azetidin-3-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1C(CN1CC2=C(C=C(C=C2)Br)F)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations