Geometry & MOs

Info

ID:	194327
PubChem CID:	78516694
Reduced:	N2O3H18C19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-60.47
Dipole, Da:	4.5
IP(EA), eV:	-9.37(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCO

DOS

IR

Vibrations