Geometry & MOs

Info

ID:	253965
PubChem CID:	103121862
Reduced:	SO3N5H11C12 (1)
Stoich.:	AB3C5D11E12 (1)
Weight, g/mol:	257.12766
ΔH_f, kcal/mol:	25.24
Dipole, Da:	7.05
IP(EA), eV:	-9.69(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=CC(=NO2)CN3C(=C(N=N3)C(=O)O)CN

DOS

IR

Vibrations