Geometry & MOs

Info

ID:	253949
PubChem CID:	103121782
Reduced:	ON5C7H9 (1)
Stoich.:	AB5C7D9 (1)
Weight, g/mol:	243.11201
ΔH_f, kcal/mol:	71.96
Dipole, Da:	6.82
IP(EA), eV:	-9.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NC(=NO2)CN

DOS

IR

Vibrations