Geometry & MOs

Info

ID:	79128
PubChem CID:	49746986
Reduced:	O2N7H13C18 (1)
Stoich.:	A2B7C13D18 (1)
Weight, g/mol:	389.02875
ΔH_f, kcal/mol:	128.58
Dipole, Da:	4.81
IP(EA), eV:	-10.0(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=NC3=CC=CC=C3N=C2)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations