Geometry & MOs

Info

ID:	79146
PubChem CID:	49747094
Reduced:	O2N3H8C9 (2)
Stoich.:	A2B3C8D9 (2)
Weight, g/mol:	394.138953
ΔH_f, kcal/mol:	16.45
Dipole, Da:	2.77
IP(EA), eV:	-8.49(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1C(CN1CC(=O)NC2=CC3=C(C=C2)OCO3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations