Geometry & MOs

Info

ID:	79145
PubChem CID:	49747093
Reduced:	O4N6C19H20 (1)
Stoich.:	A4B6C19D20 (1)
Weight, g/mol:	380.123303
ΔH_f, kcal/mol:	3.43
Dipole, Da:	3.43
IP(EA), eV:	-8.08(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CN2CC(C2)C3=NC(=NO3)C4=NC=CN=C4)OC

DOS

IR

Vibrations