Geometry & MOs

Info

ID:	79108
PubChem CID:	49746810
Reduced:	O3N7H11C14 (1)
Stoich.:	A3B7C11D14 (1)
Weight, g/mol:	379.085144
ΔH_f, kcal/mol:	66.21
Dipole, Da:	3.47
IP(EA), eV:	-10.16(-1.6)
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]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations