Geometry & MOs

Info

ID:	253980
PubChem CID:	103121958
Reduced:	IOH4N5C8 (1)
Stoich.:	ABC4D5E8 (1)
Weight, g/mol:	273.122575
ΔH_f, kcal/mol:	137.08
Dipole, Da:	2.83
IP(EA), eV:	-9.72(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C3=NC(=NO3)I)C=N1

DOS

IR

Vibrations