Geometry & MOs

Info

ID:	79127
PubChem CID:	49746979
Reduced:	O2N6H12C15 (1)
Stoich.:	A2B6C12D15 (1)
Weight, g/mol:	359.113073
ΔH_f, kcal/mol:	95.91
Dipole, Da:	3.95
IP(EA), eV:	-10.17(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-quinoxalin-2-ylmethanone

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=CN=CC=C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations