Geometry & MOs

Info

ID:	269301
PubChem CID:	103616892
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	258.07529
ΔH_f, kcal/mol:	-72.17
Dipole, Da:	6.83
IP(EA), eV:	-8.81(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CN1CCCCC1CCOC2=CC=CC3=C2CCC3=O

DOS

IR

Vibrations