Geometry & MOs

Info

ID:	69257
PubChem CID:	46530537
Reduced:	ClN3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	484.124606
ΔH_f, kcal/mol:	-79.24
Dipole, Da:	2.71
IP(EA), eV:	-9.14(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)-1,3-dioxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]isoindole-5-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=CC=C2Cl)NC(=O)C3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations