Geometry & MOs

Info

ID:	71029
PubChem CID:	48414198
Reduced:	ON5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	281.094646
ΔH_f, kcal/mol:	14.04
Dipole, Da:	5.73
IP(EA), eV:	-9.51(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=NNC(=C2)C(C)C

DOS

IR

Vibrations