Geometry & MOs

Info

ID:	60140
PubChem CID:	26675759
Reduced:	ClON2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	326.106671
ΔH_f, kcal/mol:	76.03
Dipole, Da:	3.33
IP(EA), eV:	-9.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CO/N=C\C2=CC=C(C=C2)Cl)C#N

DOS

IR

Vibrations