Geometry & MOs

Info

ID:	79132
PubChem CID:	49747041
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	318.122909
ΔH_f, kcal/mol:	80.44
Dipole, Da:	3.28
IP(EA), eV:	-9.33(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)CN1CC(C1)C2=NC(=NO2)C3=NC=CN=C3

DOS

IR

Vibrations