Geometry & MOs

Info

ID:	79159
PubChem CID:	49747164
Reduced:	O3N5H17C18 (1)
Stoich.:	A3B5C17D18 (1)
Weight, g/mol:	329.108816
ΔH_f, kcal/mol:	37.83
Dipole, Da:	1.59
IP(EA), eV:	-9.73(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CN2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations